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 MEDI John Macor  Sunday, August 10, 2014 

Poster Session
General Poster Session - EVE Session
Organizers: John Macor
Presiders: John Macor
Duration: 7:00 pm - 9:00 pm
                   
   
 Pub #Presentation Title
 39Virtual screening strategies for the discovery of new inhibitors of cruzain from Trypanosoma cruzi
Mariana Laureano de Souza, Rafaela S Ferreira, Renata Krogh, Glaucius Oliva, Luiz C Dias, Adriano D Andricopulo.
 40Rapid identification and understanding of selectivity cliffs
Tim Cheeseright, Mark Mackey, Rae Lawrence.
 41ACD/Percepta structure design engine: Virtual enumeration and screening of physchem properties for 1016 compounds in real time
Pranas Japertas, Kiril Lanevskij, Andrius Sazonovas.
 42ACD/Percepta portal: Crowdsourcing in medicinal chemistry projects
Pranas Japertas, Andrius Sazonovas, Kiril Lanevskij.
 43Diketopiperazine-based inhibitors of protein-protein interactions
Mariell Pettersson, Maria Quant, Kristina Luthman, Morten Grøtli.
 44Computational approach for performing medicinal chemistry transformations within a 3D active site
Essam Metwally, Valerie Campagna-Slater, Nels Thorenstein, Joe Leonard.
 45Novel antifibrinolytic strategy: Discovery of potent and safe antihemorrhagic agents with new mechanism of action
Josune Orbe, Jose Antonio Rodriguez, Juan Antonio Sánchez, Lara Montori, Agustina Salicio, Miriam Belzunce, Ana Ugarte, Haisul C. Y. Chang, Obdulia Rabal, Jose Antonio Páramo, Julen Oyarzabal.
 46Discovery of a highly potent and selective Liver X Receptor β agonist, K-20770-2b
Minoru Koura, Hisashi Sumida, Kimiyuki Shibuya, Takayuki Matsuda, Yuichiro Watanabe, Takashi Enomoto, Yasunobu Yoshinaka, Hiroyuki Yamazaki, Sohei Tanabe.
 47Development of selective GRK2 inhibitors for the treatment of heart failure
Helen Waldschmidt, Kristoff Homan, Kelly Larimore, John Tesmer, Scott Larsen.
 48Synthetic study of lanost-8-en-3β-ol-7,11-dione, an inhibitor of cholesterol biosynthesis
Yu-Chen Lo, Jiann-Tsyh Lin, Hiroshi Honda, Tsao-Yi Wei, Meng Dai, Wan-Yuan Huang.
 49Allylic and benzylic oxidations of steroids with chromiunm (VI) reagents
Edward J Parish, Tairan Yang, Tsao Yi Wei, Hiroshi Honda.
 50Synthetic study of methylhydrazinoacetic acid for inhibitory activity against bacteria
Jiann-Tsyh Lin, Yumi K Honda, Meen-Woon Hsiao, Tsao-Yi Wei, Hiroshi Honda.
 51Deeper insight on physicochemical determinants of hERG inhibitor specificity
Remigijus Didziapetris, Liutauras Juska, Kiril Lanevskij, Pranas Japertas.
 52Structure activity relationship studies on a vascular endothelial growth factor binding peptide
Marie Reille-Seroussi, Jean-François Gaucher, Isabelle Broutin, Michel Vidal, Sylvain Broussy.
 53Discovery of highly potent and selective PoA MK2 inhibitors
Mickael T Mogemark, Emma Evertsson, Magnus Munck af Rosenschöld, Monica Norberg, Sarah Lever, Hans Lönn, Katerina Pardali, Ulf Hedström, Peter Bold, Andy Davis.
 54Synthesis and evaluation of tetracyclic compounds as selective glucocorticoid receptor agonists
Kenji Uchida, Koji Yanagawa, Junichiro Yamamoto, Tomohiro Era, Ayumi Kishi, Kiyotoshi Mori, Toru Amano, Hiroshi Yano, Haruhiko Manabe, Katsuya Kobayashi, Toru Miura, Yoshisuke Nakasato.
 55Novel synthetic method of GSK2269557
Zhu Xingyong, Wu Xihan, Yang Minmin.
 56Kv1.3 inhibitors: En route to clinical trials
Stefan Tasler, Tobias Dreker, Ilga Krimmelbein, Svetlana Hamm.
 57Inducing airway smooth muscle relaxation by targeting the restricted α-subunit repertoire of GABAA receptors using CMD-45
Michael Rajesh Stephen, Rajwana Jahan, George Gallos, Charles W Emala, James M Cook.
 58Structure activity relationship study of citronellol type compounds and their derivatives
Tairan Yang, Yumi K Honda, Meen-Woon Hsiao, Hongfei Yin, Tsao-Yi Wei, Hiroshi Honda, Tianshu Liu.
 59Synthesis of flexible purine analog inhibitors of NCp7
Therese Ku, Natalie Steenrod, Mattia Mori, Maurizio Botta, Katherine Seley-Radtke.
 60Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors
Richard Pastor, Jason Burch, Steven Magnuson, Zhonghua Pei, Daniel Ortwine, Charles Eigenbrot, Lawren Wu, Yichin Liu, Kelly De La Torre, Adam Johnson, Yuan Chen, Xiao Ding, Marya Liimatta, Steven Shia.
 61Synthesis and evaluation of Praziquantel derivatives as a potential pharmacological chaperone for Mucopolysacharidosis VI (Marateaux-Lamy syndrome)
Trisha A Russell
 62Antibacterial activities of amphiphilic cyclic cell-penetrating peptides against multidrug resistant pathogens
Donghoon Oh, Jiadong Sun, Amir Nasrolahi Shirazi, Kerry L. LaPlante, David C. Rowley, Keykavous Parang.
 63Synthesis of amphiphilic triazolyl peptides and evaluation of their cytotoxicity
Naser Sayeh, Amir Nasrolahi Shirazi, Rakesh Kumar Tiwari, Donghoon Oh, Keykavous Parang.
 64Amphiphilic bicyclic peptides as cellular delivery agents
Donghoon Oh, Shaban Anwar Darwish, Amir Nasrolahi Shirazi, Rakesh Kumar Tiwari, Keykavous Parang.
 65WITHDRAWN
 66WITHDRAWN
 67WITHDRAWN
 68Innovative approaches for secure commercial and neglected drug discovery collaborations via the CDD Vault®
Barry Bunin, Charlie Weatherall, Kellan Gregory, Sylvia Ernst, Sean Ekins, E Adam Kallel.
 69Synthesis and evaluation of antibacetrial activity of of analogs of novel ansamycins- divergolides and hygrocins
Sivappa Rasapalli, Gopalakrishna Jarugumilli, Timothy Opperman.
 70Stereoselective synthesis and evlautaion of cephalosol for antibacterial acivity
Sivappa Rasapalli, Umair Javed, Ronald Mastrolia, Timothy Opperman.
 71Small molecule facilitated degradation of ANO1 - a new targeting approach for anticancer therapeutics
Anke Bill, Michelle Lynn Hall, Jason Borawski, Catherine Hodgson, Jeremy Jenkins, Philippe Piechon, Mariana Oana Popa, Christopher Rothwell, Pamela Tranter, Scott Tria, Trixie Wagner, Lewis Whitehead, Alex Gaither.
 72Automated ligand and structure based protocol for in-silico prediction of human serum albumin binding
Michelle Lynn Hall, William L Jorgensen, Lewis Whitehead.
 73Biophysical characterization of novel thiopeptide-derived inhibitors of bacterial elongation factor Tu
Gejing Deng, Lac Lee, Gregg Chenail, Jennifer A Leeds, Christine Luu, Matthew J LaMarche, Deborah J Palestrant, Meena Sachdeva, Robert Yu, Lewis Whitehead.
 74Optimization and activity of the argyrins for EF-G inhibition in gram negative pathogens
Gregory Bebernitz, Silvio Roggo, Mohindra Seepersaud, Meiliana Tjandra, Louise Kirman, Herbert Schuster, Peichao Lu, Eugene Liu, Subramanian Karur, Charles Dean, Deborah Palestrant, Christina A Kirby, Lewis Whitehead.
 75Structure-based drug design of anthrax toxin lethal factor inhibitors
Elbek K. Kurbanov, Dong-Jin Hwang, Jonathan Solberg, Subhashree Francis, Teresa De la Mora, Kimberly M. Maize, Rodney L. Johnson, Barry C. Finzel, Jon E. Hawkinson, Michael A. Walters, Elizabeth A. Amin.
 76SAR study for the lead optimization of trisubstituted benzimidazoles as new-generation antitubercular agents, targeting FtsZ
Simon Tong, Krupanandan Haranahalli, Divya Awasthi, Kunal Kumar, Susan Knudson, Richard A Slayden, Iwao Ojima.
 77Antimalarial 2-aminopyridine MMV390048 clinical candidate: Discovery and target identification studies
Yassir Younis, Kelly Chibale, Frederic Douelle, Diego González Cabrera, Tzu-Shean Feng, Claire Le Manach, Aloysius T Nchinda, Tanya Paquet, Leslie J Street, Richard Gordon, Sridevi Bashyam, David Waterson, Michael J Witty, Cristina Donini, Peter K Siegl, Sergio Wittlin, Sonja Ghidelli-Disse, Gerard Drewes, Tara Abraham, Philipp H Henrich, David A Fidock, Sandra Duffy, Vicky Avery, Karen L White, Susan A Charman.
 78Synthesis and characterization of novel tetrahydropyran-based bacterial topoisomerase inhibitors
Jean-Philippe Surivet, Cornelia Zumbrunn, Georg Rueedi, Daniel Ritz, Thierry Bruyère, Peter Seiler, Hans Locher, Christopher Kohl, Patrick Hess.
 79Discovery of thienoimidazole-based HCV NS5A genotype 1a and 1b inhibitors
Simon Giroux, Jinwang Xu, T. Jagadeeswar Reddy, Mark Morris, Kevin M. Cottrell, Caroline Cadilhac, James A. Henderson, Olivier Nicolas, Darius Bilimoria, Nagraj Mani, Nigel Ewing, Rebecca Shawgo, Lucille L'Heureux, Subajini Selliah, Anne-Laure Grillot, Youssef L. Bennani, John P. Maxwell.
 80Facile synthesis of β-lactam from amino acids by intramolecular condensation using a condensing reagent
Jiann-Tsyh Lin, Meen-Woon Hsiao, Tsao-Yi Wei, Hiroshi Honda, Hongfei Yin.
 81Discovery of a novel lactam-containing non-nucleoside class of HCV NS5B inhibitors
Pan Li, Jeremy Green, David Lauffer, Qing Tang, Laval Chan, Carl Poisson, John Court, Nathan Waal, Steve Ronkin, Suganthi Nanthakumar, Sanjoy Kumar Das, Constantin Yannopoulos, Warren Dorsch, Nagraj Mani, Darius Bilimoria, Rebecca Shawgo, Govinda Rao, Olivier Nicolas, Nathalie Chauret, Subajini Selliah, Francois Denis.
 82Non-antibacterial azithromycin derivatives for COPD
Jennifer Treiberg, Arthur Yeung, Sybille Wilbert, Tom Kenney, Jia Liu, Joseph Therrien, David MacLeod, Gary Phillips.
 83Trisubstituted benzimidazoles as a new class of antitubercular agents targeting FtsZ with high in vitro activity and in vivo efficacy
Krupanandan Haranahalli, Divya Awasthi, Kunal Kumar, Susan Knudson, Laurent Goullieux, Alexandra Carreau, Laurent Fraisse, Hélène Vermet, Sylvie Klieber, Richard A Slayden, Iwao Ojima.
 843D QSAR studies for a series of antichagasic agents using comparative molecular similarity indices (CoMSIA)
Leonardo L G Ferreira, César M Fioravanti, Rafael V C Guido, Marco A Dessoy, Luiz C Dias, Glaucius Oliva, Adriano D Andricopulo.
 851-Glycosyl-1,2,3-triazole-4-carboxamides as nucleoside analogs
Brendan Deal, Erland P Stevens.
 86Design, synthesis, and antibacterial activity of azaindole inhibitors of ParE/GyrB with improved properties for the treatment of gram positive bacterial infections
Hajnalka E Davis, Helen M McGuire, Suzanne S Stokes, Thomas Durand-Reville, Georgine Ioannidis.
 87Decreased ring size in cyclotriazadisulfonamide (CADA) analogs with preserved CD4 down-modulating and anti-HIV activity
Thomas W. Bell, Emily D. Scarbrough, Victor Van Puyenbroeck, Dominique Schols, Kurt Vermeire.
 88Discovery of novel pyridine-2-carboxyamides as liver-preferring glucokinase activators for treatment of type II diabetes mellitus
Jiayi Xu, Emma R Parmee, Kats-Kagan Roman, Libo Xu, Sunita Malkani, Brian Campbell, Jennifer Zhang, Fengqi Zhang, Fu Qinghong, Daniel R McMasters, Robert W Myers, Wen Feng, Nadine Elowe, Michael Kavana, George H Addona, Michele J Pachanski, Maria Trujillo, George J Eiermann, Hsuan-shen Chen, Zhesheng Chen, Gino M Salituro, Xinchun Tong, Kaushik Mitra, Brian T Farrer, Joel P Berger, Songnian Lin.
 89Evaluation of the effect of amount of sunlight on concentration of steroids and flavonoids in Pyrostegia venusta
Erika Guadalupe Escobedo Avellaneda, Elisa Leyva Ramos, Silvia Elena Loredo-Carrillo, Gabriela G Navarro-Tovar.
 90Discovery of a first activator of 17β-hydroxysteroid dehydrogenases from diversity oriented synthesis of fused steroidal azacycle derivatives
René Maltais, Alexandre Trottier, Donald Poirier.
 91Development of a new inhibitor of steroid sulfatase that combine oesteogenic and antiestrogenic properties for treatment of breast and prostate cancers
René Maltais, Etienne Ouellet, Charles Ouellet, Donald Poirier.
 92Design and syntheses of multiple fluorescent tocopherol probes
Zhen-Dan Shi, Biying Xu, Olga Vasalatiy, Gary L. Griffiths, Wei Zheng, Rolf E. Swenson.
 93Novel glucagon receptor antagonists bearing a cyclic tertiary amide for the treatment of type II diabetes
Songnian Lin, Sheryl D Debenham, Xibin Liao, Roman Kats-Kagan, Edward Metzger, Sunita V Dewnani, Tracey Spencer, Guoqiang Jiang, Sajjad A Qureshi, Xiaodong Yang, Gary G Chicchi, Laurie Tota, Alka Bansal, Edward Brady, Maria Trujillo, Gino Salituro, Corey Miller, James R Tata, Bei Zhang, Emma Parmee.
 94Novel glucagon receptor antagonists bearing an ether linkage for the treatment of type II diabetes
Songnian Lin, Xibin Liao, Roman Kats-Kagan, Guoqiang Jiang, Sajjad A Qureshi, Xiaodong Yang, Gary G Chicchi, Laurie Tota, Alka Bansal, Edward Brady, Maria Trujillo, Gino Salituro, Corey Miller, James R Tata, Bei Zhang, Emma Parmee.
 95Thiazaheterocycles with antidiabetic activity: Design, synthesis, and in combo pharmacological studies
Gabriel Navarrete-Vazquez, Samuel Estrada-Soto, Guadalupe Morales-Vilchis, Sergio Hidalgo-Figueroa, Julio C. Almanza-Perez, Scott P. Webster.
 96Synthesis and biological evaluation of a retinoid X receptor agonists identified and derived from lead optimization of a peroxisome proliferator-activated receptor γ- ligand
Mao Ye, Dipanjan Pan.
 97Novel 2,5,6-trisubstituted indoles as highly potent glucokinase activators for treatment of type II diabetes mellitus
Jiayi Xu, Emma R. Parmee, Roman Kats-Kagan, Sunita Malkani, Brian Campbell, Libo Xu, Fengqi Zhang, Jennifer Zhang, Qinghong Fu, Daniel R McMasters, Robert W Mayers, Wen Feng, Nadine Elowe, Michael Kavana, George H. Addona, Michele J. Pachanski, Maria Trujillo, George J. Eiermann, Husuan_shen Chen, Zhesheng Chen, Gino M Salituro, Xinchun Tong, Kaushik Mitra, Brian T Farrer, Joel P Berger, Songnian Lin.
 98Homoisoprenoid triazole bisphosphonates as inhibitors of geranylgeranyldiphosphate synthase
Veronica S. Wills, Ella J. Born, Sarah A. Holstein, David F. Wiemer.
 99C-Glucosides with heteroaryl thiophene as novel sodium glucose co-transporter 2 inhibitors
Sumihiro Nomura, Yuichi Koga, Shigeki Sakamaki, Mitsuya Hongu, Eiji Kawanishi, Toshiaki Sakamoto, Yasuo Yamamoto, Kiichiro Ueta, Hirotaka Kimata, Keiko Nakayama, Yasuaki Matsushita, Chiaki Kuriyama, Minoru Tsuda-Tsukimoto.
 100Discovery of the novel indole-N-glucoside TA-1887 as a sodium glucose co-transporter 2 inhibitor
Yasuo Yamamoto, Sumihiro Nomura, Yousuke Matsumura, Kiyomi Ohba, Shigeki Sakamaki, Eiji Kawanishi, Yuichi Koga, Toshiaki Sakamoto, Kiichiro Ueta, Hirotaka Kimata, Keiko Nakayama, Yasuaki Matsushita, Chiaki Kuriyama, Minoru Tsuda-Tsukimoto.
 101WITHDRAWN
 102Western-style Chinese (Kampo) medicine targeting retinoid X receptors (RXRs)
Hiroki Kakuta
 103Discovery of novel alkoxybenzamides, alkoxypicolinamides, and alkoxybenzofuran-2-carboxamides as potent AMPK activators
Ihab S. Darwish, Rajinder Singh, Jiaxin Yu, Hui Hong, Sambaiah Thota, Xiang Xu, Sarkiz D. Issakani, Tian-Qiang Sun, Wei Li, Sacha Holland, Vadim Markovtsov, Yonchu Jenkins, Yingwu Li, Alison Pan, Gerald Uy, Yasumichi Hitoshi, Gary Park, David Sweeny, Rachel Basile, Maurice Standlee, David Lau, Donald Payan.
 104Pyrimidine derivatives as mGlu5 receptor negative allosteric modulators
Guiying Li, Myriam April, Xiaosui Pu, Michelle A Uberti, Robbin M Brodbeck, Maria D. Bacolod, Gamini Chandrasena, Darío Doller.
 105Discovery of pyrrolo-benzo-1,4-diazines as potent Nav1.7 sodium channel blockers
Ginny D. Ho, Deen Tulshian, Ana Bercovici, Zheng Tan, Jennifer Hanisak, Stephanie Cooke, Julius Matasi, Charles R Heap, William G Earley, Brandy Courneya, Xiaoping Zhou, Terry Bridal, Diane Rindgen, Lynn Hyde, Mary Cohen-Williams, Steve Sorota, Shu-Wei Yang.
 106Fully automated synthesis of a new 18F-labeled bexarotene analog for PET imaging retinoid X receptor and apolipoprotein E
Min Wang, Toni Davis, Mingzhang Gao, Qi-Huang Zheng.
 107Parallel enabled synthesis of 3,4-dihydroisoquinolin-1-ones as gamma secretase modulators
Tuan P Tran, Christopher W amEnde, Martin Pettersson.
 108Development of an agonist of the TGF-beta signaling pathway to treat Alzheimer's disease
Tony Wyss-Coray, Wallace Bradford, Carol Green, Ellen Beaulieu, Anna Furimsky, Jian Luo, Hui Zhang, Mary J. Tanga.
 109Synthesis and biological evaluation of some new thiazolodiazepine analogs as CNS active agents
Sara Tariq Alrashood, Ghada Hassan, Hussein Subbagh.
 110Facile synthesis of haloindoles for the development of ergot alkaloids compounds
Yu-Chen Lo, Yumi K Honda, Meen-Woon Hsiao, Tsao-Yi Wei, Hiroshi Honda, Hongfei Yin.
 111Development of selective chemical inhibitors for the two-pore potassium channel, KCNK9, through a HTS and hit refinement strategy
Tuanli Yao, Daniel P Flaherty, Denise S Simpson, Brooks E Maki, Melissa R Miller, Beiyan Zou, Jie Shi, Victor W Day, Justin T Douglas, Meng Wu, Owen B McManus, Jeffrey Aubé, Jennifer E Golden, Min Li.
 112Synthesis of T807 for preparation of [18F]T807, a tau PET imaging agent for Alzheimer's disease
Mingzhang Gao, Min Wang, Qi-Huang Zheng.
 113Development and PET imaging of atypical antipsychotics for the treatment of schizophrenia
Enrico M Mongeau, Nadeesha Ranasinghe, Graham B Jones.
 114Facile synthesis of oxazolidinone molecules and the attachment of imidazole for their biological activity study
Edward J Parish, Tairan Yang, Hiroshi Honda, Tsao-Yi Wei, Jiandao Yin.
 115Design and synthesis of newer amide derivatives as 5-HT4 receptor ligands
Ramakrishna Nirogi, Anil Shinde, Vinaykumar Tiriveedhi, Laxman Kota, Sangram Saraf, Ramkumar Subramanian, Pradeep Jayarajan, Gopinadh Bhyrapuneni.
 116Discovery and optimization of indoline derivatives as new LXR agonists
Dominique Potin, Jérôme Amaudrut, Michel Bondoux, Maryline Chatar, Vincent Derain, Christine Dumas, Antony Dunand, Arnaud Sinan Karaboga, Luc Lebreton, Christine Massardier, Anne Perreau, Olivier Riguet, Céline Rivaux, Michel Souchet, Dominique Viard.
 117WITHDRAWN
 118Modeling, synthesis, and biological evaluation of potent retinoid-X-receptor agonists: Novel analogs of bexarotene, LGD100268, and CD3254
Carl E Wagner, Peter W Jurutka, Pamela A Marshall, Arjan van der Vaart.
 119WITHDRAWN
 120γ-Aminobutyric acidA receptor positive allosteric modulators potentiate α7 nicotinic acetylcholine receptor mediated nootropic-effect
Thomas A Ford-Hutchinson, Derk J Hogenkamp, Minhtam Tran, Kelvin W Gee.
 121Design, synthesis, and pharmacological evaluation of novel multifunctional dopamine D2/D3 agonists with iron chelation property: Potential implication in symptomatic and neuroprotective treatment of Parkinson's disease
Banibrata Das, Tamara Antonio, Maarten Reith, Aloke Dutta.
 122Further structure activity relationship (SAR) study of novel hybrid N6-(2-(4-(1H-indole)piperazine-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine analogs: Development of highly potent and selective D3 receptor preferring agonist molecules
Seenuvasan Vedachalam, Banibrata Das, Tamara Antonio, Maarten Reith, Aloke Dutta.
 123Development of pharmacophore model and asymmetric synthesis of novel tetrahydrofuran derivatives enroute to triple reuptake inhibitors as anti-depressant agents
Horrick Sharma, Soumava Santra, Joy Debnath, Tamara Antonio, Maarten Reith, Aloke Dutta.
 124WITHDRAWN
 125Synthesis, optimization, and pharmacological evaluation of TREK-1 activators as novel analgesics
Delphine Vivier, Khalil Bennis, Guillaume Ledoux, Geoffrey Bourdier, Jérôme Busserolles, Laëtitia Prival, Florian Lesage, Sylvie Ducki.
 126Design and synthesis of the first tetrameric tuftsin aminopterin conjugate for active targeting therapy of autoimmune diseases
Kevin Y Wang, Spencer J Hahn, Longwu Qi, Jeremy F Vaughn, Hari K Santhapuram, Yingjuan Lu, Christopher P Leamon, Iontcho R Vlahov.
 127Evaluation of photoactive cleavable neurotransmitters in the elucidation of neural networks
Nasri Nesnas, Richard L. Comitz, Yannick P. Ouedraogo.
 128Design and synthesis of novel β-carbolines as GABAA subtype selective agents for the treatment of alcohol abuse
V. V. N. Phani Babu Tiruveedhula, Kashi Reddy Methuku, Kaitlin T Warnock, Harry L June, James M Cook.
 129Synthesis of polyheterocyclic antagonists of GPR55
Buthainah Al RIfaie, Laura Johnson, Mitchell P Croatt.
 130Development of non-isatin M1 positive allosteric modulators
Joseph D. Panarese, Jerri M. Rook, Michael S. Poslusney, Bruce J. Melancon, Thomas M. Bridges, Hyekyung P. Cho, Jonathan Dickerson, Corey Hopkins, Michael R. Wood, Zixui Xiang, Ryan Morrison, Shaun R. Stauffer, J. Scott Daniels, Colleen Niswender, Carrie K. Jones, P. Jeffrey Conn, Craig W. Lindsley.
 131Novel oxazolidinone CGRP receptor antagonists for the acute treatment of migraine
Brendan M. Crowley, Hal G. Selnick, Craig A. Stump, Shawn J. Stachel, Craig M. Potteiger, Diem N. Nguyen, Amy G. Quigley, Ashley Nomland, Joseph G. Bruno, Amanda L. Kemmerer, Karsten Menzel, Rebecca B. White, Dan Cui, Eric L. Moore, Andrew Danzinger, Dan V. Paone, Christopher S. Burgey, Mark E. Fraley, Christopher A. Salvatore, Scott D. Mosser, Christine Fandozzi, Stefanie A. Kane, Samuel L. Graham.
 132Probing pain receptors with cysteine knot peptides
Zoe V F Wright, Alethea B Tabor, Adrian Hall, Erik Arstad, Martin Koltzenburg.
 133Synthesis of new flavone derivatives against estrogen dependent cancers
Vanrajsinh Jitendrasinh Thakor, Jalpa N Kher, Bhavini P Atodaria, Fenil D Bhayani, Malleshappa N Noolvi, Jinal J Bharucha.
 134Synthesis of new flavone, flavanone, and isoflavone derivatives as potential anticancer agents
Vanrajsinh Jitendrasinh Thakor, Jalpa N Kher, Fenil D Bhayani, Jinal J Bharucha, Malleshappa N Noolvi.
 135Development of an irreversible inhibitor of EphB3 kinase
Yangbing Li, Frank E. Kwarcinski, Matthew B. Soellner.
 136WITHDRAWN
 137Substituted diarylamine compounds with antineoplastic activity
Huichao Li, Aiying Guan, Changling Liu.
 138Natural coumarin and methoxyacrylate hybrids: Anticancer activity, SAR, and mode of action studies
Aiying Guan, Changling Liu, Mingxing Zhang, Fan Yang, Yong Xie.
 1396,8-Disubstituted purines as inhibitors of anaplastic lymphoma kinase (ALK)
L. Schlütke, S. Wölfel, F. Totzke, C. Schächtele, M. H. G. Kubbutat, C. Kunick.
 140Targeting the p53-MDM2 interaction: Synthesis of novel chlorofusin analogs
Sarah Anne Goffin, Lesley Ann Howell, Mark Searcey.
 141Discovery of quinazolinedione derivatives as potent PARP1 inhibitors
Dong Liu, Aishen Gong, Kan He, Truc Luu, Lucy Xu, Jiayin Zhang, Lei Zhang, Lianshan Zhang, Minsheng Zhang.
 142Growth inhibition of malignant melanoma by glutathione disulfide liposomes
Satya Sai Sadhu, Ranjith Kumar Averineni, Xiangming Guan.
 143Anti-metastatic effects of glutathione disulfide liposomes
Satya Sai Sadhu, Ranjith Kumar Averineni, Teresa M Seefeldt, Jiashu Xie, Hemachand Tummala, Xiangming Guan.
 144Mikania laevigata: Chemical characterization and selective cytotoxic activity of extracts on tumor cell lines
Luciane Coberlini Rufatto, Mariana Roesch-Ely, Sidnei Moura.
 145MAGMAS inhibition in hepatocellular carcinoma
Bhaskar DAS, Benjamin C Powers, Boumediene Bouzahzah, Peter Van Veldhuizen, Emma B-D Reyes.
 146SAR study on novel androgen receptor pan-antagonists
Alberto Del Rio, Andrea Guerrini, Anna Tesei, Giulia Paganelli, Silvia Carloni, Marzia Di Donato, Gabriella Castoria, Carlo Leonetti, Greta Varchi.
 147Novel inhibitor of Notch signaling for the treatment of cancer
Bharvin K R Patel, Mark H Bender, Karim Benhadji, Andrew R Capen, Julia M Clay, Albert G Dee, Hong Gao, Philip A Hipskind, Tianle Hu, Jon K Reel, Warren J Porter.
 148C-Jun N-terminal kinase 3 (JNK3) as target for halogen bonding
Andreas Lange, Marcel Guenther, Stefan A. Laufer, Frank M. Boeckler.
 149Discovery of potent and bioavailable pan-Pim inhibitors for treatment of cancer
Huiyong Hu, Grace Chan, Jae Chang, Steven Do, Jake Drummond, Allen Ebens, Aleksandr Kolesnikov, Wendy Lee, Justin Ly, Joseph Lyssikatos, Jeremy Murray, John Moffat, Qi Chao, Vickie Tsui, Heidi Wallweber, Xiaojing Wang.
 150Multicomponent synthesis and in vitro screening of new prodrug derivatives of 5-aminolaevulinic acid for Photodynamic Therapy (PDT)
Gabriel F Gola, Daniel A Sáenz, Gabriela Di Venosa, Adriana G. Casas, Lydia R. Galagovsky, Javier A Ramírez.
 151Synthesis and identification of oxidative metabolites of birinapant/TL32711, a novel smac-mimetic for the treatment of cancer
Thomas Haimowitz, Yijun Deng, Stephen M. Condon.
 152Process development of birinapant/TL32711: A novel smac-mimetic for the treatment of cancer
Yijun Deng, Qiuzhe Xie, Anna T. A. Chasnoff, Seth A. Putrelo, Debasis Patra, Jun Yan, Antonovich S. Robert, Arthur J. Cooper, Susan R. Rippin, Thomas Haimowitz, Yu-Hua Lee, Matthew G. LaPorte, Stephen M. Condon.
 153Identification of intermediates in the stepwise reduction of 1,3-dichloro-6-nitroisoquinoline to 6-aminoisoquinoline
Jill M. Sturdivant, Mitchell A. deLong.
 154Thermodynamic properties of membrane-binding peptides
Petra Schneider, Katharina Stutz, Jan A Hiss, Yen-Chu Lin, Max Pillong, Gisbert Schneider.
 155Design and synthesis of GTx-134, a highly selective dual IGF-1R and insulin receptor (IR) inhibitor
Yahu A Liu, Vlad E Gregor.
 156Identification of new vitamin D receptor-coregulator inhibitors among nuclear receptor ligands
Kelly A Teske, Jon W Bogart, Luis Sanchez, Leggy A Arnold.
 157Improved process for synthesis of 4-nitro-7-azaindole
Jin Li, Xihan Wu, Minmin Yang.
 158Novel synthetic method for key intermediate of sGC stimulators
Jin Li, Jingwei Zhu, Xihan Wu, Minmin Yang.
 159Synthesis and regio-selective esterification of Nemorubicin metabolite (PNU-159682), a highly cytotoxic warhead for targeted therapies, and their folate conjugates
Hari Krishna R Santhapuram, Jeremy F Vaughn, Fei You, Longwu Qi, Christopher P Leamon, Iontcho R Vlahov.
 160WITHDRAWN
 161Synthesis of highly potent tubulysin analogs as payloads for targeting therapies of cancer
Fei You, Paul J. Kleindl, Kevin Wang, Longwu Qi, Hari K. Santhapuram, Spencer J. Hahn, Jeremy F. Vaughn, Garth L. Parham, Marilynn Vetzel, Joseph A. Reddy, Christopher P. Leamon, Iontcho R. Vlahov.
 162Imidazo[4,5-b]pyrazines as thiadiazole amide isosteres in the 5H-chromeno[2,3-b]pyridine (azaxanthene) series of glucocorticoid receptor(GR) agonists
Zili Xiao, Michael G. Yang, Hua Gong, Mark Cunningham, Jinhong Wang, Sium Habte, Deborah Holloway, Christine Burke, David Shuster, Ling Gao, Julie Carman, John E. Somerville, Steven G. Nadler, Luisa Saltercid, Joel C. Barrish, David S. Weinstein.
 163Synthesis, anticancer activities, and molecular docking studies of peptides and iso peptides
Farukh Jabeen, Tamara P Kondratyuk, Ihasan ul Haq, Shahid Hameed, Alan Roy Katritzky.
 164Screening, synthesis, and development of macrocyclic XIAP antagonists with drug like properties
Benjamin Seigal, Nick Terrett, William Connors.
 165Discovery of pyrazolo[1,5-a]pyrimidin-7-amine derivatives as mTOR kinase domain inhibitors: Hit to lead optimization
Yongqi Deng, Binyuan Sun, Gerald Shipps, Richards Matthew, Zhaoyang Meng, Williama Windsor, Hongbo Zeng, Brian Long, Li Xiao.
 166Synthesis of conjugates of a cell penetrating cyclic peptide with paclitaxel and camptothecin
Naglaa Salem El-Sayed, Amir Nasrolahi Shirazi, Rakesh K Tiwari, Keykavous Parang.
 167Largazole analogs as selective histone deacetylase inhibitors
Ayad Al-Hamashi, Jehad Almaliti, Robert Farrell, Viranga Tillekeratne.
 168Trapping liquid drugs inside crystals
Davide Capucci
 169BioSens-All™: Anew technology dedicated to GPCR biased ligand drug discovery
Ismet Dorange, Billy Breton, Martin Coupal, Melanie Frauli, Stephan Schann.
 170Quantification of proteins using 13C7-labeled and unlabeled iodoacetanilide by nano liquid chromatography/nanoelectrospray ionization and by selected reaction monitoring mass spectrometry
Sadamu Kurono, Yuka Kaneko, Shuji Matsuura, Satomi Niwayama.
 171WITHDRAWN
 172Lidocaine-ibuprofen ionic liquid for dermal anesthesia
Han Jung Park, Mark R Prausnitz.
 173MOE in education: Problem-based learning in medicinal chemistry
Petrina Kamya
 174Synthesis of [11C]GSK1482160 as a potential PET agent for imaging of P2X7 receptor
Mingzhang Gao, Min Wang, Qi-Huang Zheng.
 175Electrochemical investigation and analytical determination of Hg in artificial saliva
Abdel-Nasser M. Kawde
 176Exploring the duality of halogens as participants in non-bonded interactions during lead optimization
Alain Ajamian, Chris Williams.
 177WITHDRAWN
 178Electrochemistry-HPLC-ESI-MS in mimicry of oxidative drug metabolism
Kudzanai Chipiso, Rueben H Simoyi.
 179Development of non-peptide pyrazole-based proteasome inhibitors as anticancer agents
Zachary Miller, Domin Lee, Na-Ra Lee, Lin Ao, Chang-Guo Zhan, Wooin Lee, Dong-Eun Kim, Kyung-Bo Kim.
 180LC/MS-guided investigation of natural products chemistry: A case study of African medicinal plants
Kelsey Gustafson, Tom Villani, Jing Zhen, James Simon, Qingli Wu.
 181Alternative strategies for targeting HSP70
Lindsay E Evans, Matthew D Cheeseman, Keith Jones, Paul Workman.
 182Synthesis, evaluation, and docking of new 4-alkoxybenzyl bicyclic amine ethers as nicotinic acetylcholine receptor antagonists
Edwin G. Pérez, Jhon J. López, Cristian O. Salas, Jesús García-Colunga, Angélica Fierro-Huerta, Jorge M. Campusano.
 183Ferroptotic small molecules for the treatment of Ras-mutated cancers
Sara Fedorka, William R Taylor, Viranga Tillekeratne.
 184Dibenzazepine and dibenzocycloheptane based FOXO modulators
Nilesh Zaware, David Kastrinsky, Valerie Carbajal, Goutham Narla, Michael Ohlmeyer.
 185New flash chromatography silica increases purity of separated compounds
John R Bickler, John Urh, Victor Vandell.
 186Simple flash chromatography step-gradient process eliminates purification guesswork
John R. Bickler, John Urh.
 187Computerized drug design of novel class of flavone entities
Vanrajsinh J Thakor, Fenil D Bhayani, Jalpa N Kher, Jinal J Bharucha, Malleshappa N Noolvi.
 188Aldehyde recognition and discrimination by mammalian odorant receptors via functional group-specific hydration chemistry
Yadi Li, Zita Peterlin, Jianghai Ho, Tali Yarnitsky, Min Ting Liu, Merav Fichman, Masha Y. Niv, Hiroaki Matsunami, Stuart Firestein, Kevin Ryan.
 189Natural product inspired libraries for hit generation in drug discovery
Pramod Joshi, Dean Stamos, Hayley Binch, Khisal Alvi.
 190Design, synthesis, and biological evaluation of spiro-fused thiadiazoline inhibitors of the mitotic kinesin KSP
Angie R Angeles, Umar Faruk Mansoor, Chaoyang Dai, Liping Yang, Andrea D Basso, M. Arshad Siddiqui.
 191Identification of potent imidazoquinoline derivatives as antiglioma agents from screening
Shivaputra A Patil, Susan R Pfeffer, William L Seibel, Lawrence M Pfeffer, Duane D Miller.
 192Phenanthroline based metal complexes as G-quadruplex ligands
Wanbo Liu, Irina A. Dotsenko, Siwen Wang, Jinghang Xie, William K. Chan, Vyacheslav V. Samoshin, Liang Xue.
 193Synthesis of 2 amino benzothiozoles as potential anticancer agents
Fenil D Bhayani, Vanrajsinh J Thakor, Malleshappa N Noolvi.
 194Chemical probes for studying cell-to-cell communication in bacteria
Ysobel R Baker, James T Hodgkinson, Martin Welch, David R Spring.
 195Structure – kinetics relationship analysis of a set of HSP90 inhibitors
Doris A. Schuetz, Marta I. Amaral, Matthias Frech, Gerhard F. Ecker.
 196Synthesis and evaluation of linoxepin analogs for topoisomarease inhibition
Sivappa Rasapalli, Umair Javed.
 197Development of a near infrared fluorescent probe for optical imaging of DNA base excision repair
Allison G Condie, Chunying Wu, Junqing Zhu, Stanton L Gerson, Yanming Wang.
 198Utilisation of Fmoc solid phase chemistry as a novel approach to the generation of duocarmycin analogues
Michael J Stephenson, Maria O'Connell, Steve Collingwood, Mark Searcey.
 199Discovery of new inhibitors of deoxyhypusine synthase (DHPS): Virtual screening and biochemical evaluation
Ana Paula Biazotto da Silva, Oedem Paulo Almeida Jr., Alexandra Ivo de Medeiros, Sandro Roberto Valentini, Rafael Guido, Cleslei Fernando Zanelli.
 200WITHDRAWN
 201Potent [1,2,4]triazolo[1,5-a]pyridine and 1H-pyrazolo[3,4-d]pyrimidine inhibitors of polo-like kinase 1 and the structural basis for divergent SAR between the series
Philip Chamberlain, Sogole Sami Bahmanyar, Barbra Pagarigan, Palka Patel, Jeff Muir, Dan Zhu, Jennifer R Riggs.
 202Toward well-defined antibody-drug conjugates
Pamela Thompson, Mary Jane Hinrichs, Ryan Fleming, Binyam Bezabeh, Nazzareno Dimasi, Haihong Zhong, Shannon Breen, Christopher Barton, Dmytro Avilov, Dorin Toader, Shenlan Mao, Jay Harper, Adeela Kamal, Molly Reed, Kathleen McKeever, Robert Hollingsworth, Rakesh Dixit, Herren Wu, Changshou Gao.
 203Discovery of potent small molecule inhibitors of Wnt-dependent transcription
Aurélie Mallinger, Simon Crumpler, Mark Pichowicz, Dennis Waalboer, Florence Raynaud, Felix Rohdich, Katrin Georgi, Mark Stubbs, Wynne Aherne, Trevor Dale, Dirk Wienke, Frank Stieber, Kai Schiemann, Julian Blagg.
 204WITHDRAWN
 205Inhibitors of sterol biosynthesis: A facile synthesis of ketosteroids and related compounds
Hua-Tay Lin, Yumi K Honda, Meen-Woon Hsiao, Hiroshi Honda, Tsao-Yi Wei.
 206Structure-based design of HMG CoA reductase inhibitors as novel antimicrobials targeting drug resistant bacterial pathogens
Mark A Lipton
 207Multifunctional nanoparticles for the targeted delivery of a coagulation amplifier to sites of internal hemorrhage
Sara Nownes, Galen Stucky.
 208Novel synthetic methodology for 5- and 6-subsituted cyclopenta[d]pyrimidine nonclassical and classical antifolates as TS and DHFR inhibitors
Weiguo Xiang, Aleem Gangjee, Larry H Matherly.
 209Substituted 4-hydroxy-6-phenyl-5,6-dihydropyridin-2-ones as potent inhibitors of human lactate dehydrogenase A
Sharada S. Labadie, Peter S. Dragovich, Laura B Corson, Charles Ding, Charles Eigenbrot, Marie Evangelista, Benjamin Fauber, Zhenting Gao, Rebecca Hong, Anna Hitz, Quynh Ho, Thomas Hunsaker, Mandy Kwong, Tommy Lai, Yichin Liu, Deepak Sampath, Shuguang Ma, Shiva Malek, Thomas O’Brien, Hans E Purkey, Kirk Robarge, Laurent Salphati, Steven Sideris, Mark Ultsch, Erica VanderPorten, BinQing Wei, Ivana Yen, Huihui Zhang, Xuying Zhang, Aihe Zhou.
 210Combining CoMFA models for the design dual inhibitors of receptor tyrosine kinases (RTK) and tubulin
Aleem Gangjee, Sudhir Raghavan.
 211Design, synthesis, and SAR studies of novel survivin inhibitors with potent antiproliferative properties
Min Xiao, Jin Wang, Yan Lu, Duane D Miller, Wei Li.
 212Synthesis of pyridine and thiophene derivatives as potential antagonists of chemokine receptor type-4
Theresa D Gaines, Suazette Reid Mooring, Zhongxing Liang, Hyunsuk Shim.
 213WITHDRAWN
 214New heterocyclic scaffolds for drug discovery
Lexie Winograd, Yufei Wang, Erland P Stevens.
 215Ugi four component reaction enables expedient synthesis and comparison of photoaffinity probes
Jacob T Bush
 216Synthesis of indazole based diarylurea derivatives and evaluation of their inhibition activity against human cancer cell growth
Wenbao Li
 217Synthesis of new flavone derivatives against estrogen dependent cancers
Vanrajsinh Jitendrasinh Thakor, Bhavini P Atodaria, Jalpa N Kher, Jinal J Bharucha, Malleshappa N Noolvi.
 218WITHDRAWN
 219Metabolically fortified DPA-714 analogs for improved PET imaging of translocator protein (TSPO)
Samuel D Banister, Bin Shen, Frederick T Chin, Michael Kassiou.
 220Design, synthesis, and biological evaluation of fused heteroaryl derivatives as MEK5 inhibitors
Dhruv Shah, Sneha Potdar, Patrick T. Flaherty, Jane Cavanaugh.
 221Synthesis and biological evaluation of novel flavonoid derivatives as anticancer agents
Nelly Mateeva, Donka Tasheva, Krista Cabret, Bereket Mochona, Kinfe Redda.
 222Discovery of a KIT Exon 17 mutant-targeted inhibitor
Jack Lin, Guoxian Wu, Marika Nespi, Yan Ma, Bernice Matusow, Ying Zhang, Garson Tsang, Katrina Chan, Heidi Carias, Chao Zhang, Gaston Habets, Wayne Spevak, Prabha Ibrahim, Gideon Bollag.
 223Towards dual kinase-bromodomain inhibitors for the treatment of acute myeloid leukemia (AML)
Lijia Chen, Makoto Yoshioka, Jeffery Strovel, Steven Fletcher.
 224Covalent mRNA labeling using fluorescently self-alkylating ribozymes
April Anamisis, Ashwani K. Sharma, Joshua J. Plant, Alex E. Rangel, Kirsten N. Meek, Jennifer M. Heemstra, Julie Hollien.
 225WITHDRAWN
 226Synthesis, anticancer, and antioxidant activities of some pyrrolyl-1-3,4-oxadiazole and pyrrolyl-4-aminoantpyrine Schiff base analogs
Bereket Mochona, Elizabeth Mazzo, Larry Russell, Nelly Mateeva, Kinfe K. Redda.
 227Hydrogen peroxide responsive thiazolidinone-based prodrugs
Christian Perez, Jean-Philippe Monserrat, Seth M. Cohen.
 2285-Substituted Pyrimido[4,5-b]indoles with single agent combination chemotherapeutic potential
Aleem Gangjee, Nilesh Zaware, Arpit B Doshi, Sudhir Raghavan, Michael A Ihnat.
 229Conformationally restricted pyrrolo[2,3-d]pyrimidines as potential antimitotic and antitumor agents
Aleem Gangjee, Tasdique Quadery, Lu Lin, Susan L Mooberry.
 230Targeting specific interactions to improve binding properties of EGFR-kinase ligands
Chris Williams
 231Improved automated clinical production of 68Ga-DOTA-TATE for targeting somatostatic receptor-positive neuroendocrine tumors
Natasha Arksey, Bernadette Schneider, Andrei Iagaru, Frederick T Chin.
 232Effects of curcumin analogs on proliferation and cell death of cervical and prostate cancer cells
Xiaojie Zhang, Rubing Wang, Guanglin Chen, Laurent Dejean, Qiao-Hong Chen.
 233Design, synthesis, and biological evaluation of 6-amino-5-chloro-2-methyl N4-substituted pyrimidine analogs as potential antitubulin agents
Aleem Gangjee, Shruti Choudhary, Susan L Mooberry.
 234WITHDRAWN
 235Transmembrane domains of the bacterial cell division proteins FtsB and FtsL form a stable high-order oligomer: A FRET analysis
Ambalika S Khadria, Alessandro Senes.
 236WITHDRAWN
 237Discovery of dual inhibitors targeting both WT and the S31N mutant of the influenza A virus M2 proton channel
Jun Wang, Yibing Wu, Chunlong Ma, Belgin Canturk, Hyunil Jo, Giacomo Fiorin, Michael L Klein, Robert A Lamb, William F DeGrado.
 238Structure and function of bilayer stress-sensing transmembrane domains
Manasi P Bhate, Bruk Mensa, Hyunil Jo, Yibing Wu, William F DeGrado.
 239Examining disease-associated Aβ mutants as conformational strains
Mimi C Nick, William F DeGrado.
 240Modeling the antibody-eliciting conformation of the HIV-1 gp41 MPER
Michelle E McCully, Brett T Hannigan, William F DeGrado.
 241Stabilization of radicals with a de novo designed protein
Gözde Ulas, William F. DeGrado.
 242Computational design of metallotransporter
Nathan Joh, Gevorg Grigoryan, Yibing Wu, Rudresh Acharya, Tuo Wang, Mei Hong, Michael Grabe, William F. DeGrado.
 243Using de novo protein models to understand functional tuning in binuclear non-heme iron enzymes
Amanda J. Reig, Susan E. Butch, Sabrina N. Cimerol, Kristen Biernat, Jenna Pellegrino, Rachel Z. Polinski, Connor L. Kanya, Kale Drost.
 244Polysaccharide lysae from S. maltophilia with unique, pH-regulated substrate specificity
Logan C. MacDonald, Bryan W Berger.
 245Transition metal catalysts as novel tools for intracellular enzyme inhibition
Bethany Hunt, Christopher J Adams, Michele D Paterson, Shelby Dahlen, Pamela S Mertz, Craig N Streu.
 246Integrin aIIbb3-mediated c-Src activation: Differential b3 binding to inactive and active c-Src
Yibing Wu
 247Effects of ionic liquids on protein folding-unfolding transitions
Dylan Gary, Joshua Forvour, Timothy D Vaden, Gregory A Caputo.
 248Hydrophobic amino acid SAR in antimicrobial peptides
Kimberly Saint Jean, Louisa Abiuso, Karlee Henderson, Gregory A Caputo.
 249Understanding production of reactive oxygen species in amyloid plaques using small peptide models
Olga V. Makhlynets, Pallavi M. Gosavi, Ivan V. Korendovych.
 250Optimizing the efficacy of opioids by TLR4 blockade
Hang Hubert Yin
 251High-resolution crystal structures of the influenza A M2 proton channel in the lipidic cubic phase: Insights into water networks at high and low pH
Jessica L Thomaston, Mercedes Alfonso-Prieto, Rahel Woldeyes, James Fraser, Giacomo Fiorin, William DeGrado.
 252On-demand control of antimicrobial activity of methacrylate random copolymers using amphiphilic polysaccharide nanogel
Haruko Takahashi, Kazunari Akiyoshi, Kenichi Kuroda.
 253Deconstructing the pathways of ion conduction to describe the geometry of inhibition sites of the flu's proton channel
Giacomo Fiorin, Eleonora Gianti, Mercedes Alfonso-Prieto, Vincenzo Carnevale, Jessica L Thomaston, William F DeGrado, Michael L Klein.
 254Combining shape-based recognition and molecular simulation in drug discovery
Eleonora Gianti, Randy J. Zauhar, Mercedes Alfonso-Prieto, Jessica L. Thomaston, William F. DeGrado, Michael L. Klein, Giacomo Fiorin.
 255Synthesis and characterization of dendronized helix bundle assemblies
Jeannette E Marine, Jonathan G Rudick.
 256Toward an ensemble-centric view of structure for protein design
Gevorg Grigoryan
 257Mutational analysis of the PhoQ signal transduction pathway
Kathleen S Molnar, William F DeGrado.
 258Effect of post-translational modifications on secondary structure stability
Richard P Cheng
 259Imaging of bindings between chemical drug and its target protein kinases by redistribution assay in live cells
Seung-Yeul Lee, Yong Ho Kim, Kyung-Bok Lee.
 260Stabilization of helical peptides by chemical crosslinking
Hyunil Jo, Felix Findeisen, Christine Rumpf, Daniel L. Minor, William F. DeGrado.
 261Development of a small molecule inhibitor of integrin αvβ1
Hyunil Jo, Nilgun I. Reed, Yongen Chang, Dean Sheppard, William F. DeGrado.
 262Crystal structure of an amphiphilic foldamer reveals a 48-mer assembly comprising a hollow truncated octahedron
Shao-Qing Zhang, Vincenzo Pavone, Antonello Merlino, Angela Lombardi, Yibing Wu, William F. DeGrado.



 MEDI John Macor  Wednesday, August 13, 2014 

Poster Session
General Poster Session - EVE Session
Organizers: John Macor
Duration: 7:00 pm - 9:00 pm
                   
   
 Pub #Presentation Title
 364Discovery of a benzimidazole lead class: Selective aldosterone synthase inhibitors for the treatment of hypertension
Scott B. Hoyt, Min K. Park, Clare London, Yusheng Xiong, Jim Tata, D. Jonathan Bennett, Andrew Cooke, Jaiqiang Cai, Emma Carswell, John Robinson, John MacLean, Lindsay Brown, Simone Belshaw, Tom Clarkson, Kun Liu, Gui-Bai Liang, Mary Struthers, Doris Cully, Tom Wisniewski, Ning Ren, Charlene Bop, Andrea Sok, Tian-Qian Cai, Sloan Stribling, Lee-Yuh Pai, Xiuying Ma, Joe Metzger, Andreas Verras, Daniel McMasters, Qing Chen, Elaine Tung, Wei Tang, Xiaohua Li, Gino Salituro, Nicole Hill, Jeff Kuethe, Nelo Rivera, Joe Clemas, Gaochou Zhou, Jack Gibson, Carrie Ann Maxwell, Mike Lassman, Theresa McLaughlin, Jose Castro-Perez, Daphne Szeto, Gail Forrest, Richard Hajdu, Mark Rosenbach, Amjad Ali.
 365Development of a novel class αIIbβ3 receptor antagonist RUC-4 as anti-platelet aggregation agent for myocardial infarction
Jian-Kang Jiang, Joshua G. McCoy, Jihong Li, Spandana Vootukuri, Min Shen, Yi Shang, Christopher A LeClair, Wenwei Huang, Ana Negri, Robert Blue, Amanda Harrington, Sarasija Naini, George David III, Won-Seok Choi, Elisabetta Volpi, Joseph Fernandez, Mariana Babayeva, Mark A Nedelman, Thomas G. Diacovo, Marta Filizola, Barry S Coller, Craig J Thomas.
 366Role of ubiquitin proteasome system in atrial structural remodeling in sarcolipin T5A transgenic mice
Antanina Voit, Vikas Shah, Agniezska Agas, Mayilvahanan Shamugan, Gopal Babu.
 367WITHDRAWN
 368Adipose derived stem cells for a vascular graft
Julien Henri Arrizabalaga, Matthias Ulli Nollert.
 369Discovery of parenterally administered factor XIa inhibitors
Zilun Hu, Pancras C Wong, Paul J Gilligan, Wei Han, Kumar B Pabbisetty, Joseph M Luettgen, Joseph E Myers, Karen A Rossi, Steven Sheriff, Dietmar Seiffert, Ruth R Wexler, Mimi L Quan.
 370WITHDRAWN
 371Progress toward a polyphenol releasing bare metal stent
Mackenzie E Batali, Julian A Harris, Casey M Jones.
 372Discovery and optimization of pyrazole carboxamides as Jak1 selective inhibitors for rheumatoid arthritis
Hongjun (David) Zhang, Phieng Siliphaivanh, Tony Siu, Luis Torres, Jason Brubaker, Masayuki Nagayoshi, Michelle Martinez, Joshhua Close, Matthew Childers, Rachel MacCoss, Jonathan R. Young, Christopher J. Dinsmore, Phil Jones, Chaomin Li, Joon Jung, Fiona Pickford, Sujal Vilas Deshmukh.
 373Design and synthesis of thienopyrimidine based FLT3 inhibitors from SPC-839, a known IKKβ inhibitor
Changmok Oh, Chulho Lee, Jee Sun Yang, Hyuntae Kim, Gyoonhee Han.
 374WITHDRAWN
 375Potent and selective pyridone BTK inhibitors with an induced fit binding mode and activity vs. mutant forms of BTK
James J Crawford, Adam Johnson, BinQing Wei, Daniel F Ortwine, Pawan Bir Kohli, Wendy B Young.
 376RXR partial agonist NEt-4IB exerts therapeutic effects on inflammatory bowel disease without the side effects of RXR full agonists
Yuki Furusawa, Toshiki Kobayashi, Kohei Kawata, Mariko Nakayama, Shoya Yamada, Makoto Makishima, Akihiro Tai, Hiroki Kakuta.
 377Radiosynthesis and biological evaluation of a novel Enoyl-ACP reductase inhibitor for Staphylococcus aureus
Hui Wang, Yang Lu, Li Liu, David Alexoff, Sung Won Kim, Jacob M. Hooker, Joanna S. Fowler, Peter J. Tonge.
 378Investigation of the mechanism of action of a species-selective antibacterial compound
Patricia M Blair, Katie J Molohon, Abhishek Sharma, Douglas A Mitchell.
 3796,7-Dihydropyrrolo[3,4-g]indol-8-ones as selective inhibitors of CDC2-like kinases (CLKs)
A. Walter, R. Helmer, N. Loaëc, B. Villiers, L. Preu, L. Meijer, C. Kunick.
 380Viral Achilles heel: The nucleocapsid protein of FIV and related lentiviruses as a therapeutic target
Christopher R. M. Asquith, Marina L. Meli, Tuomo Laitinen, Lidia S. Konstantinova, Oleg A. Rakitin, Antti Poso, Karin Allenspach, Regina Hofmann-Lehmann, Stephen T. Hilton.
 381N-Benzoyl-2-hydroxybenzamides displayed high activity against protozoan parasites
Jozef Stec, Qingqing Huang, Marco Pieroni, Marcel Kaiser, Alina Fomovska, Rima McLeod, Reto Brun, Alan P Kozikowski.
 382Binding mode analysis of small molecule trypanothione reductase inhibitors and variability between parasitic species
Elke Persch, Steve Bryson, Nickolay K. Todoroff, Christian Eberle, Jonas Thelemann, Natalie Dirdjaja, Marcel Kaiser, Maria Weber, Hassan Derbani, Reto Brun, Gisbert Schneider, Emil F. Pai, R. Luise Krauth-Siegel, François Diederich.
 383Nitrofurazone bioisosters (semicarbazone, thiosemicarbazone and aminoguanidine derivatives) as antichagasic candidates
Drielli Gomes Vital, Vinícius Gonçalves Maltarollo, Flávia Damasceno, Ludmila Nakamura Rapado, Ariel Mariano Silber, Felipe Silva Vilella, Rafaela Salgado Ferreira, Gustavo Henrique Goulart Trossini.
 384Structure based inhibitor discovery against beta-lactamase in countering bacterial resistance
Nicholas Torelli, Yu Chen.
 385Bis-sulfonamide inhibitors of 2-methylerythritol 2,4-cyclodiphosphate synthase (IspF) from Arabidopsis thaliana and Plasmodium falciparum
Jonas Thelemann, Julie G Geist, Konstantin Barylyuk, Boris Illarionov, Markus Fischer, Tobias Gräwert, Adelbert Bacher, Renato Zenobi, François Diederich.
 386Rational design of inhibitors targeting drug resistant mutants of the influenza A virus M2 proton channel
Jun Wang, Yibing Wu, Belgin Canturk, Hyunil Jo, Chunlong Ma, Giacomo Fiorin, Michael L Klein, Robert A Lamb, William F DeGrado.
 387Novel oxazolidinone hydroxamic acid derivatives: Synthesis and biological evaluation
Oludotun A. Phillips, Roselyn E. D'Silva, D. Eric Walters, Leyla H. Sharaf, Teklu O. Bahta, Edet E Udo, Ludmil Benov.
 388Structure-based design and optimization of dipeptidyl inhibitors of norovirus 3CL protease
Anushka C Galasiti Kankanamalage, Pathum M Weerawarna, Roxanne Adeline Z Uy, Sivakoteswara Rao Mandadapu, Kevin R Alliston, Kyeong-OK Chang, Yunjeong Kim, Scott Lovell, Duy H Hua, Allan M Prior, Willam C Groutas.
 389WITHDRAWN
 390Design and synthesis of peptidomimetic inhibitors of Porphyromonas gingivalis biofilm formation
Frederick A. Luzzio, Pravin C. Patil, Donald R. Demuth, Jinlian Tan.
 391Effects of sidearm electron density in unsymmetrical cyclotriazadisulfonamide (CADA) analogs on anti-HIV and human CD4 down-modulating abilities
Reena Chawla, Dominique Schols, Kurt Vermeire, Thomas W. Bell.
 392ProTides of N–(3-(5-(2'-deoxyuridine))prop-2-ynyl)octanamide phosphate, a potent and selective inhibitor of thymidylate synthase X from Mycobacterium tuberculosis, as potential anti-tubercular and anti-viral agents
Valentina Ferrari, Christopher McGuigan, Marco Derudas, Blanka Gonczy, Karen Hinsinger, Sahar Kandil, Fabrizio Pertusati, Michaela Serpi, Robert Snoeck, Graciela Andrei, Jan Balzarini, Timothy D. McHugh, Arundhati Maitra, Ernest Akorli, Dimitrios Evangelopoulos, Sanjib Bhakta.
 393Development of curcumin-inspired compounds for the treatment of HIV and its comorbidities
Amol A. Kulkarni, Namita Kumari, Charlee McLean, Maria Hipolito, Sergei Nekhai, Evaristus Nwulia.
 3946-Substituted pyrrolo[2,3-d]pyrimidines as dihydrofolate reductase inhibitors and potential anti-opportunistic agents
Aleem Gangjee, Khushbu Shah, Xin Lin, Sherry Queener, Vivian Cody.
 395Synthesis and antimicrobial evaluation of a new class of pyrido[1,2-a]thieno[3,2-e]pyrimidine
Haider Behbehani
 396Optimized quinoline-based disruptor with improved efficacy against biofilm formation in Vibrio cholerae
Brian Leon, Jake Haeckl, Roger G Linington.
 397Design, synthesis, and evaluation of novel hydrazide-based small-molecule inhibitors of plasminogen activator inhibitor-1
Darshani A. Weerakoon, Ashley A. Reinke, Greg A. Abernathy, Sarah J. Burke, Naga S. Guntaka, Jason M. Miller, Olufunke G. Oyelade, Shih-Hon Li, Mark Warnock, Daniel A. Lawrence, Cory D. Emal.
 398Evaluation of 64Cu radiolabeled Ceragenin (cationic selective antimicrobial) in a biological system
Nilantha Bandara, Yubo Li, Stephanie Krieger, Suzanne E Lapi, Paul B Savage, Buck E Rogers.
 399Learning lessons from nature: Design and synthesis of DNA gyrase inhibitors based on the structure of Simocyclinone D8
Michael J Austin, Stephen J Hearnshaw, Anthony Maxwell, Lesley A Howell, Mark Searcey.
 400Synthesis of Doxycycline-[13CD3]
James E. Bupp, Mary J, Tanga.
 401Identification of norstictic acid as an inhibitor of Med25-activator interactions
Paul A Bruno, Steven M Sturlis, Martha Larsen, Giselle Tamayo-Castillo, David H Sherman, Anna K Mapp.
 402Bicyclic 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-containing compounds having high potency against Raltegravir-resistant integrase mutants of HIV-1
Xue Zhi Zhao, Steven J. Smith, Mathieu Métifiot, Christophe Marchand, Yves Pommier, Stephen H. Hughes, Terrence R. Burke, Jr..
 403Repurposing the antimistamine terfenadine as an antibiotic
Daniel P Flaherty, Jessamym I Perlmutter, Paul M Dunman, Lauren T Forbes, Damien J Krysan.
 404Novel inhibitors of bacterial DNA gyrase identified by a high throughput phenotypic screen of bacterial SOS response
Paul R Fleming, Melinda Foulk, Robert Albert, Jun Fan, Kathy MacCormack, Scott Mills.
 405WITHDRAWN
 406Antimicrobial surfaces for healthcare applications
Sacha Noimark, Elaine Allan, Ivan P Parkin.
 407Novel naphthalene derivatives as potent HCV NS5A inhibitors: Design, synthesis, SAR, and optimization studies
Sam Baskaran, Wieslaw Kazmierski, Maosheng Duan, Scott Dickerson, Joel Cooper, Rick Grimes, Jill Walker.
 408Design and synthesis of inhibitors of the dimetalloprotease DapE as novel broad-spectrum antibiotics
Cory Thomas Reidl, Anna Starus, Tahirah Heath, Maxwell Moore, Mouneeb Choudry, Ken Olsen, Miguel Ballicora, Danuta Gillner, Richard Holz, Daniel P Becker.
 409On the way to fusion inhibitors for tick-borne flaviviruses: Identification of lead compounds and mechanism studies
Dmitry I Osolodkin, Liubov I Kozlovskaya, Evgenia V Dueva, Victor V Dotsenko, Alexey A Orlov, Yulia V Rogova, Vladimir A Palyulin, Galina G Karganova, Nikolay S Zefirov.
 410Molecular mechanism and ligand design of a PLP/GABA-dependent bacterial transcription regulator GabR
Emily Cybulla, Rui Wu, Cory Reidl, Donna Gawron, Daniel P. Becker, Dali Liu.
 411General methodology for the radiosynthesis of FMAU and analogous positron emission tomography (PET) probes
Nikolai M Evdokimov, Graciela Flores, Michael E Phelps, Michael E Jung.
 412Combating drug resistance via multi-targeting
Wei Zhu, Kai Li, Yonghui Zhang, Yang Wang, Yi-Liang Liu, Eric Oldfield.
 413Potent inhibition of tRNA−guanine transglycosylase investigated by isothermal titration calorimetry
Christoph Hohn, Luzi Jakob Barandun, Manuel Neeb, Florian Immekus, Philipp Kohler, Sandro Tonazzi, Tina Ritschel, Gerhard Klebe, François Diederich.
 414Towards chemoprevention of Aminoglycoside-induced hearing loss
Sarwat Chowdhury, Kelly N. Owens, Divya Mehta, Allison Hixon, Heather Kinnear, David W. Raible, Edwin W. Rubel, Julian A. Simon.
 415Effect of head group variation on human CD4 down-modulating and anti-HIV potencies of CADA analogs
Rameez Ali, Dominique Schols, Kurt Vermeire, Thomas W. Bell.
 416Silver–gold alloy bimetallic nanoparticles as a therapeutic strategy against anaerobic pathogens
Megan S Holden, Jason Black, Marie-Clair Boutrin, Leroy G Henry, Francis Roy, Ozioma Chioma, Alexia Ximines, Wilson Aruni, Hansel M Fletcher, Christopher C Perry.
 417Antimicrobial metal oxide thin films for use in healthcare applications
Iman A. Hassan, Sean P. Nair, Claire J. Carmalt.
 418Characterization of pftrxr inhibitors using in silico methodology and antimalarial assays
Symon Gathiaka, Ranjith Munigunti, Katja Becker, Rajnish Sahu, Babu Tekwani, Angela Calderón, Orlando Acevedo.
 419WITHDRAWN
 420Hologram QSAR studies of antiprotozoal activities of sesquiterpene lactones
Vinicius G Maltarollo, Thomas J Schmidt, Gustavo H G Trossini.
 421HCV NS5A replication complex inhibitors: Effects of substituted pyrrolidines in balancing genotype 1a/1b potency
James A Henderson, Bingcan Liu, Simon Giroux, T. Jagadeeswar Reddy, Monica Bubenik, Caroline Cadilhac, Louis Vaillancourt, Guy Falardeau, Carl Poisson, Oswy Pereira, Kevin M. Cottrell, Mark Morris, Olivier Nicolas, Darius Bilimoria, Nagraj Mani, Nigel Ewing, Rebecca Shawgo, Lucille L'Heureux, Subajini Selliah, Anne-Laure Grillot, Youssef L. Bennani, John P. Maxwell.
 422Ferrous ion/PfATP6 dual requirement for antimalarial activity: Making strides towards understanding the MOA of artemisinin
Shuneize Slater, Jakub Kollar, Kuldeep Roy, Chih-Hao Lu, Sanjeev Krishna, Robert Doerksen, Mitchell Avery.
 423WITHDRAWN
 424Aminosteroid inhibitors of the inositol phosphatase SHIP1
John D Chisholm, Dennis R Viernes, Christopher M Russo, Robert Brooks, Sonya Iyer, Sandra Fernandes, William G Kerr.
 425WITHDRAWN
 426Design and synthesis of antidiabetic agents with agonistic activity on both PPARγ and FFAR1
Mohamed A Helal, Khaled M. Drawish, Ismail Salama, Samia M. Mostafa.
 427Homology modeling of Giardia intestinalis arginine deiminase: Insights into its structure and inhibition
Pedro J Trejo-Soto, Rodrigo Aguayo-Ortiz, Alicia Hernández-Campos, Lilián Yépez-Mulia, Rafael Castillo.
 428Development of a vaccine for the treatment of heroin addiction: Determination of the optimal heroin hapten-carrier density
Oscar B. Torres, Rashmi Jalah, Kenner C. Rice, Fuying Li, Joshua F. G. Antoline, Malliga R. Iyer, Kejun Cheng, Arthur E. Jacobson, Zoltan Beck, Carl R. Alving, Gary R. Matyas.
 429Elucidation of the pharmacokinetic difference of regioisomeric retinoid X receptor agonists having an alkoxy group by PET imaging
Toshiki Kobayashi, Kohei Kawata, Mariko Nakayama, Yuki Furusawa, Shoya Yamada, Hiroyuki Hirano, Fumiaki Takenaka, Masaru Akehi, Takanori Sasaki, Eiji Matsuura, Akihiro Tai, Hiroki Kakuta.
 430Structure-metabolism relationships of novel macrocyclic peptide opioid receptor ligands
Tanvir Khaliq, Sanjeewa N Senadheera, Susan M Lunte, Jane V Aldrich.
 431Structure-activity relationship studies on O-[3-(heterocyclyl)phenyl] carbamate FAAH inhibitors
Francesca Giacomina, Gian Filippo Ruda, Claudio Fiorelli, Laurin Melzig, Giampiero Colombano, Clara Albani, Rita Scarpelli, Tiziano Bandiera, Daniele Piomelli.
 432Synthetic study of acyclic terpenoid compounds for potent inhibitors of tyrosinase
Edward J Parish, Yu-Chen Lo, Hiroshi Honda, Tsao-Yi Wei.
 433Stereospecific total synthesis of the indole alkaloid Ervincidine: Establishment of the C-6 hydroxyl stereochemistry
Sundari K. Rallapalli, Ranjit S. Verma, Ashwini R. Verma, James M. Cook.
 434Development of fluorescent retinoid X receptor ligands and Förster resonance energy transfer (FRET)-based RXR ligand screening method
Shoya Yamada, Mariko Nakayama, Kazutaka Kohara, Makoto Makishima, Hirotaka Naitou, Hiroki Kakuta.
 435Syntheses and in vitro evaluation of fluorine-containing inhibitors for vesicular acetylcholine transporter
Zhude Tu, Prashanth K Padakanti, Xiang Zhang, Junfeng Li, Jinquan Cui, Sanley M Parsons.
 436Development of selective Grp94 inhibitors derived from radicicol
Anuj Khandelwal, Vincent Crowley, Jessica Hall, Brian S. J. Blagg.
 437Synthesis and evaluation of protein tyrosine phosphatase inhibitors by targeting a novel allosteric site
Rachita Rai, Fengtian Xue, Alexander MacKerell, Jr., Sirish K Lakkaraju.
 438Novel sulfone compounds as potent and selective 5-HT6 receptor antagonists
Pamuletinarasimhareddy Gangadasari, Rajesh Kumar Badange, Veena Reballi, Laxman Kota, Venkatreddy Mekala, Renny Abraham, Vijay Benade, Anil Shinde, Ramakrishna Nirogi.
 439WITHDRAWN
 440Conformationally constrained proline derivatives as a4b2 nicotinic acetylcholine receptor ligands and their efficacy in animal models of depression
Mohammed Abdul Rasheed, Narsimha Bogaraju, Pradeep Jayarajan, Gopinadh Bhyrapuneni, Ramkumar Subramanian, Ramakrishna Nirogi.
 441Structural manipulations of aporphines en route to new chemical probes for CNS receptors
Nirav R Kapadia, Wayne W Harding.
 442Discovery and optimization of selective mGluR3 PAMs towards novel neuroprotective agents for the treatment of Parkinson's disease
Baptiste Manteau, Stephan Schann, Stanislas Mayer.
 443Opioid scaffolds obtained by the Ugi multi-component reaction
Andras Varadi, Joan J Subrath, Valerie LeRouzic, Gavril W Pasternak, Gina Marrone, Susruta Majumdar.
 444Optimization of a D4 antagonist as an in vivo tool to study L-DOPA-induced dyskinesia and cocaine addiction
Cynthia B Berry, Matthew C O'Reilly, John P Hayes, James A Wepy, Craig W Lindsley.
 445[18F]Fluorinated amino acids prepared using spirocyclic iodonium ylides
Benjamin H Rotstein, Nickeisha A Stephenson, Steven H Liang, Neil Vasdev.
 446Discovery of MK-4409, a novel oxazole FAAH inhibitor for the treatment of inflammatory and neuropathic pain
Harry R Chobanian, Yan Guo, Ping Liu, Marc Chioda, Selena Fung, Thomas Lanza, Linda Chang, Raman Bakshi, James Dellureficio, Qingmei Hong, Mark McLaughlin, Kevin Belyk, Amanda Makarewicz, Elliot Martel, Joseph Leone, Shane Krska, Lisa Frey, Bindhu Karanam, Maria Madeira, Raul Alvaro, Joyce Shuman, Gino Salituro, Catherine Abbadie, Erin McGowan, Shruti Mistry, Nina Jochnowitz, Richard Hajdu, Mark Rosenbach, Jenna Terebetski, Jessica Alexander, Lin-Lin Shiao, Kathleen Sullivan, Ravi P Nargund, Matthew J Wyvratt, Linus S Lin, Robert J Devita.
 447Design and optimization of heterocyclic 4-azaxanthenes as potent and selective inhibitors of BACE1 for the treatment of Alzheimer's disease
Isaac E Marx, Kui Chen, Alan C Cheng, Thomas A Dineen, Oleg Epstein, Joel Esmay, Dean Hickman, Chuck E Kreiman, Robert C Wahl, Paul H Wen, Matthew M Weiss, Douglas A Whittington, Stephen Wood, Robert T Fremeau, Ryan D White, Vinod F Patel.
 448Discovery of novel 3-thiomethyl bicyclo[3,1,0]hexane analogs as highly potent and selective antagonists of metabotropic 2/3 receptors for the treatment of depression
Renhua Li, Stephon Cornell Smith, Tatiana Vetman, Maria-Jesus Blanco, Adam Fivush, Allie Tripp, Eric Tromiczak, Mark Chappell, Bruce A Dressman, Carlos Jaramillo Aguado, Charles Mitch, Albert Khilevich, Jeffrey Schkeryantz, Steven J Quimby, Mercedes Carpintero, José E Diego, Mario Barberis, Susana García, José F Soriano, Paul Ornstein, Thomas C Britton, James E Matt, Xia Li, Carl D Overshiner, Xu-Shan Wang, Beverly A Heinz, Kenneth C Cassidy, Keith A Wafford, Wesley Seidel, John T Catlow, Steven Swanson, David Bedwell, Jeffrey M Witkin.
 449Dimeric two-ring scaffolds for selective targeting of human melatonin receptors MT1 and MT2
Marc J Koyack, Marina Popovska-Gorevski, Kate McGowan, Raj Rajnarayanan, Margarita Dubocovich.
 450Discovery of novel bicyclo[3.1.0]hexane analogs as antagonists of metabotropic glutamate 2/3 receptors for the treatment of depression
Bruce A. Dressman, Eric G. Tromiczak, Mark D. Chappell, Allie E. Tripp, Steven J. Quimby, Tatiana Vetman, Adam M. Fivush, James Matt, Carlos Jaramillo, Renhua Li, Albert Khilevich, Maria-Jesus Blanco, Stephon C. Smith, Mercedes Carpintero, José Eugenio de Diego, Mario Barberis, Susana García-Cerrada, José F. Soriano, Jeffrey M. Schkeryantz, Jefferey M. Witkin, Keith A. Wafford, Wesley Seidel, Thomas Britton, Carl D. Overshiner, Xia Li, Xu-Shan Wang, Beverly A. Heinz, John T. Catlow, Steven Swanson, David Bedwell, Paul Ornstein, Charles H. Mitch.
 451Epoxysuccinyl prodrugs: Discovery of an overlooked prodrug breakdown pathway and its implications in drug development
Marton I Siklos, Isaac T Schiefer, Emily Thayer, Sujeewa Piyankarage, Xiao Liang, Gregory R J Thatcher.
 452Synthesis of a candidate 11C-labeled brain histamine subtype 3 receptor radioligand for evaluation in monkey
Fabrice G Simeon, Shuiyu Lu, Cheryl Morse, William Culligan, Alicia Wook, Sami S Zoghbi, Jeih-San Liow, Robert Gladding, Robert Innis, Victor W Pike.
 453Structural modification on the 2,4-diarylaminopyrimidine scaffold and discovery of potent inhibitors targeting both wild and mutant ALK kinases
Ao Zhang
 454Structure-activity relationships of novel curcumin-based anticancer agents
Qiao-Hong Chen, Rubing Wang, Xiaojie Zhang, Chengsheng Chen, Nithya Subrahmanyam, Guanglin Chen, Joshua Keith.
 455Identification of novel benzamide-pyridone-containing EZH2 inhibitors
Pei-Pei Kung, Simon Bergqvist, Patrick Bingham, John Braganza, Mei Cui, Saleema Dhanani, Wade Diehl, Dac Dinh, Martin Edwards, Conglin Fan, Ketan Gajiwala, Hovik Gukasyan, Wendy Hu, Buwen Huang, Susan Kephart, Su Khoh-Reiter, Bob Kumpf, Gary Li, Karen Maegley, Indrawan McAlpine, Sacha Ninkovic, Martha Ornelas, Eugene Rui, Stephanie Scales, Scott Sutton, John Tatlock, Fen Wang, Peter Wells, Martin Wythes, Shinji Yamazaki, Xiu Yu, Luke Zehnder.
 456Design, synthesis, and development of a novel PAMAM-based bow-tie dendrimer platform for tumor-targeting drug delivery
Tao Wang, Yuhan Gary Teng, Longfei Wei, Iwao Ojima.
 457Novel ROS-activated quinone prodrugs: A new strategy for tumor-specific damage
Anish K Vadukoot
 458Synthesis of the differentially functionalized cyclopenta[b]benzofuran core of silvestrol through a CAN mediated oxidative cyclization
John L. Woodard, Heebyung Chai, Li Pan, A. Douglas Kinghorn, James R. Fuchs.
 459Cucurbitacins as novel inhibitors of Hsp90 chaperone function
Jessica A Hall, Sahithi Seedarala, Nichole Rice, Lucas Kopel, Fathi Halaweish, Brian S. J. Blagg.
 460Development of structure-activity relationships of BnIm for selective-Grp94 inhibition
Vincent M. Crowley, Anuj Khandelwal, Aaron F. Muth, Sanket Mishra, Jinbo Zhao, Brian S. J. Blagg.
 461Development of ring-constrained novobiocin analogs as Hsp90 C-terminal inhibitors
Gaurav Garg, Brian S. J. Blagg.
 462Site-specific antibody-drug conjugates enable the exploration of structure-activity relationships at the conjugate level
Jesse M McFarland, Aaron E Albers, Jeanne Baker, Stefanie Banas, Robyn M Barfield, Gregory W de Hart, Penelope M Drake, Albert W Garofalo, Patrick G Holder, Lesley C Jones, Romas Kudirka, Wesley W Zmolek, David Rabuka.
 463Analysis of 64Cu-NOTA-cetuximab fragments for PET imaging of epidermal growth-factor receptor (EGFR) positive tumors
Tolulope A Aweda, Efrem Mebrahtu, Suzanne E Lapi.
 464Structure-based design of potent and selective tankyrase inhibitors to target the Wnt pathway
Nagasree Chakka
 46511a-N-Tosyl-5-deoxi-pterocarpan (1a), a promising prototype for targeting MDR leukemia cell lines and DNA topoisomerase I from Plasmodium falciparum (PfTopoI)
Camilla D. Buarque, Eduardo J. Salustiano, Julia Penna-Coutinho, Wilian A. Cortopassi, Atoniana U. Krettli, Paulo R.R. Costa, Pierre M. Esteves.
 466Synthesis and binding to telomeric DNA of novel curcumin analogs
Massimiliano Lamberto, Jonathan Rochford, Wesley Cunningham, Samantha Ebner, Stephanie Bellinger-Buckley.
 467Substituted 4-hydroxy-5,6-dihydropyran-2-one as potent inhibitors of human lactate dehydrogenase A
BinQing Wei, Kirk Robarge, Sharada Labadie, Hans Purkey, Benjamin Fauber, Peter S Dragovich, Aihe Zhou, Zhenting Gao, Charles Ding, Anna Hitz, Thomas O'Brien.
 468Small molecule probes for protein-protein interactions: Mimicking beta-sheet motifs
Colin W Robinson, Carl Rye, Nicola Chessum, Keith Jones.
 469Novel modified nucleobases that show cytotoxicity towards breast cancer cells
Kayla M Borland, Sean M Lawson, Stephanie Ventura, Edward Merino, Vladislav A Litosh.
 470Investigating Grb7 inhibition by use of small molecules
Natalie Holmberg-Douglas, Carolynn C. Arpin.
 471Lead based development and evaluation of selecitve estrogen mimics in tamoxifen resistant breast cancer
Rui Xiong, Hitisha K. Patel, Jiong Zhao, Xiao Liang, Mary Ellen Molloy, Debra Tonetti, Gregory R. J. Thatcher.
 472Investigating the ototoxicity of gold nanoparticle conjugated cisplatin
Jasper Z. Williams, Christopher N. LaFratta, Michael F. Tibbetts.
 473Antioxidant dendrimers
Uyen G.T. Huynh, Choon Y. Lee.
 474Targeted synthesis of novel ROS activated cancer pro-drugs resistant to CYP3A19 metabolism
Kaylin G Earnest, Edward J Merino.
 475Novel 2-benzylidene benzothiazolidinones as potent and selective inhibitors of protein kinase CK2 and PIM kinases
Venkat R Pallela, DRC Venkata Subbaiah, Muralidhar R Mallireddigari, Balireddy Akula, Revathi Patti, Vijaya E Bharathi, Stephen C Cosenza, E Premkumar Reddy, M V Ramana Reddy.
 476Design synthesis, and biological evaluation of novel MEK-5/ERK-5 inhibitors
Mohit Gupta, Suravi Chakrabarty, Patrick T. Flaherty, Sneha Potdar, Jane Cavanaugh, Matthew E. Burow.
 477Design and synthesis of novel sulfamoyl benzoic acid (SBA) analogs as specific non-lipid LPA2 receptor agonists with picomolar affinities
Renukadevi Patil, Erzsébet Szabó, James I Fells, Derek B Norman, Andrea Balogh, Sue-Chin Lee, Louisa Balazs, Shivaputra A Patil, Charles R Yates, Gábor J Tigyi, Duane D Miller.
 478Identification of a novel small-molecule inhibitor of plasminogen activator inhibitor-1
Sarah J. Burke, Ashley A. Reinke, Himabindu Anumala, Darshani A. Weerakoon, Shih-Hon Li, Mark Warnock, Daniel A. Lawrence, Cory D. Emal.
 479Formyl chromones as privileged structures: Development of drug-like scaffolds with antimicrobial and cytotoxic properties
Jake R. Zimmerman, Olivia Johntony, Brian J. Myers, Haley Armstrong, Cody Criss, Daniel Steigerwald, Aaron Sullivan.
 480Sustainable, green chemistry, and medicine: Targeted cannabinoid-based chemotherapy utilizing Cell-in-a-Box cellular encapsulation technology
Corina E. Brown, Mark L. Rabe, Gerald W. Crabtree, Richard M Hyslop.
 481WITHDRAWN
 482Nucleic acid bioconjugates in anticancer applications
Pradeepkumar Patel, Niki Rana, Hemantbhai Patel, Emily Borland, Emi Hanawa, Daniel Goldman, Reeta Yadav, Cecilia Marzabadi, Uri Samuni, Sergiu M Gorun, David Sabatino.
 483Synthesis, characterization, and cancer gene therapy applications of branch and hyperbranch siRNAs
Mayurbhai R Patel, Anthony Maina, Brittany Blackman, Allan D Blake, David Sabatino.
 484Synthetic peptides alternatives to epothilone and taxol as inhibitors of the dynamics of tubulin polymerization
Cristina C Clement, Janet Gonzalez, Simon Kleinbart, Manfred Philipp.
 485Design, synthesis, and biological evaluation of substituted monocyclic pyrimidines with potential antitubulin activities as antitumor agents
Aleem Gangjee, Rishabh Mohan, Ruoli Bai, Ernest Hamel.
 4861,5-Diheteroaryl-1,4-diene-3-ones: Promising, curcumin-inspired anticancer agents
Chengsheng Chen, Rubing Wang, Xiaojie Zhang, Qiao-Hong Chen.
 487Immunomodulatory activity of dehydroepiandrosterone and oxygenated and fluorinated androstenes
María Belén Vecchione, Javier Eiras, Flavia Michelini, Laura Alché, Florencia Quiroga, Andrea Bruttomesso, Lydia Galagovsky.
 488Design of triazole-stapled TRF2 peptide inhibitors targeting NF-kB signaling pathway through direct binding to RAP1
Xu Ran, Jianfeng Lu, Liu Liu, Chao-Yie Yang, Yong Chen, Ming Lei, Shaomeng Wang.
 489Variation of linker composition in ADCs generated from aldehyde-tagged antibodies impacts both efficacy and PK
Albert W. Garofalo, Aaron E. Albers, Romas Kudirka, Robyn M. Barfield, Stefanie Banas, Lesley C. Jones, Jesse M. McFarland, Patrick G. Holder, Penelope M. Drake, David Rabuka.
 490Isosteric replacement of acyl piperizine with phenyl ether: Improving metabolic stability of GDC-0068 class of Akt inhibitors
Jun Li, Brian Safina, Jun Liang, Bianca Liederer, Nicholas Skelton, James Marsters.
 491Design, synthesis, and biological evaluation of pemetrexed homologs as multi-enzyme antifolates selectively targeting the folate receptor
Aleem Gangjee, Manasa Ravindra, Larry H Matherly.
 492Fluorinated N,N-dialkylaminostilbenes repress colon cancer by targeting methionine S-adenosyltransferase-2
Vitaliy M Sviripa, Wen Zhang, Hai-Shu Lin, Chunming Liu, David S Watt.
 493Targeting of PI3K-a and CDK4/6 kinases in mantle cell lymphomas with dual kinase inhibitor ON 123300-lactate
Balireddy Akula, Saikrishna A Divakar, Vijaya E Bharathi, Muralidhar R Mallireddigari, DRC Venkata Subbaiah, Venkat R Pallela, Vinay K Billa, Stephen C Cosenza, E Premkumar Reddy, M V Ramana Reddy.
 494WITHDRAWN
 495Synthesis and evaluation of triazine derivatives as novel antitumor agents that modulate BMI-1 expression in cancer stem cells
Hongyu Ren, Wu Du, Hiroo Koyama, Steve Paget, Nadiya Sydorenko, Chang-Sun Lee, Ramil Baiazitov, Liangxian Cao, Thomas W Davis, Neil G Almstead, Young-Choon Moon.
 496Discovery of novel antagonists for proton-sensing receptor GPR4 and their pharmacological activities
Nobumasa Otsubo, Takeshi Kuboyama, Jun Saito, Mayumi Saki, Jun Ouchi, Hiromasa Miyaji, Hiromi Nonaka-Kase, Yuzuru Abe, Katsutoshi Sasaki, Hidenori Takada, Junko Ushiki, Motoya Mie, Naoko Hiura, Toru Amano, Kazuaki Inoue, Haruhiko Manabe, Akihiko Watanabe, Hitoshi Arai, Kyoichiro Iida.
 497Synthesis and in vivo assessment of arylsulfonyl acrylonitriles for the inhibition of peritoneal carcinomatosis
Craig A Zificsak, Yi Shen, Jill E Shea, Xuegang Lao, Oana Bollt, Xiufen Li, Joseph G Lisko, Jay P Theroff, Courtney L Scaife, Bruce D Dorsey, Scott K Kuwada.
 498Discovery and optimization of aminooxadiazoles as potent proviral integration site of Moloney murine leukemia virus kinases (Pim) inhibitors
Ryan P. Wurz, Liping Pettus, Claire Jackson, Bin Wu, Hui-Ling Wang, Bradley Herberich, Victor Cee, Brian Lanman, Tony Reed, Frank Chavez, Jr., Thomas Nixey, Jimmy Laszlo III, Paul Wang, Christine Sastri, Nadia Guerrero, Jeff Winston, Rusty Lipford, Matthew R. Lee, Kristin Andrews, Christopher Mohr, Yang Xu, Yihong Zhou, Darren Reid, Andrew S. Tasker.
 499Application of structure based design techniques for targeting specific EGFR-kinase interactions
Michael L Drummond, Chris Williams.
 500Development of classification models for the Aryl Hydrocarbon Receptor (AHR) activators using HTS big dataset: Utilizing applicability domain and addressing unbalance in the dataset
Ahmed M Abdelaziz, Karl-Werner Schramm, Igor V Tetko.
 501Structure-based modeling and direct coupled analysis for the prediction of dimeric macromolecular systems
Ricardo N dos Santos, Faruck Morcos, Biman Jana, Adriano D Andricopulo, José N Onuchic.
 502Molecular modeling of subtype selective muscarinic antagonists
Marcel Bermudez, Gerhard Wolber.
 503Protein active site comparison tool for optimizing drug selectivity
Ivana Uzelac, Thomas Olsson, Johan Gottfries.
 504Chelating-fragment libraries as a tool in novel metalloenzyme inhibitor discovery
Cy V Credille, Seth M Cohen.
 505Apply Ni(II) complexes to efficient asymmetric synthesis of chiral α- and β-amino acids
Jiang Wang, Hong Liu.
 506Utilizing a SMART approach to compound processing and management
Christopher A LeClair, C Thomas Louer, William Leister.
 507Development of an 18F radiotracer targeting GPR91
Jeffrey D Klenc, Malgorzata Lipowska, Andrew T Taylor.
 508Intramolecular cyclizations of allyl- and vinyl-dihydropyridones under photolytic conditions
Sezgin Kiren
 509High throughput screening, X-ray crystallography analysis, and structure-activity relationships (SAR) of CFTR inhibitory factor (Cif) inhibitors
Seiya Kitamura, Christophe Morriseau, Kelli L Hvorecny, Dean R Madden, Bruce D Hammock.
 510α-Sulfonamidophosphonates and bis-α-aminophosphonates: New leads towards infectious disease chemotherapy
Srikant Bhagat, Methuka Supriya, Tharun G. V. V. Kumar, Shewta Mishra, Jonnalagadda Padma Sridevi, Perumal Yogeeswari, Dharmarajan Sriram, Asit Kumar Chakraborti.
 511Enantioselective synthesis of imidazolines and α,β-diamino amides derived from Ugi multicomponent high throughput screening libraries
Nicolle A Doering, Armen Zakarian, S. Yuan, Jeffrey J. Jackson, K. Emayan, J. Ramphal, J. B. Nicholas, B. O. Buckman.
 512Designed amphiphilic peptides toward fabrication of lipid-peptide nanoparticles
Kazuma Yasuhara, William F DeGrado.
 513Synthesis and magnetic resonance analyses of Melphalan-TEMPOL for site-targeted drug delivery
Leonardo Castro, Antonia Flores, Errol Mathias, Yong Ba.
 514Novel synthesis of Isoquinoline derivatives by Rhodium(I) catalyzed between N-H ketimines and internal alkynes
Rajith S Manan, Taehyun Kim, Pinjing Zhao.
 515Peripheral functionalization and complexation of an ortho-triazacyclophane, N,N',N''-trimethyltribenzo-1,4,7-triazacyclononatriene, and Cu(II)-induced rearrangement to a stable cation radical
Ross J. Beattie, David Upp, Trisha Tucker, Doug Steinman, Andrea Panagopoulos, Nick Nutile, Phillip E. Fanwick, Matthias Zeller, Thomas J. Smith, Daniel P. Becker.
 516Sensing biological anions with luminescent pyridine/imine based lanthanide complexes
Katherine R. Johnson, Oliver E. Hudak, Eric J. Werner.
 517Enthalpy-entropy compensation in protein-ligand binding: An adversary phenomenon that can lead to a novel strategy in drug design
Nader N Nasief, David Hangauer.
 518From “brick dust” APIs to new solid phases: Biopharmaceutical improvement through cocrystallization
Irma A. Millán-Mendoza, Brenda C. Félix-Sonda, Jesús Rivera-Islas, Jorge G. Domínguez-Chávez, Dea Herrera-Ruiz, Hugo Morales-Rojas, Herbert Höpfl.
 519SAR by HDX: Optimizing ligands for the estrogen receptor using hydrogen deuterium exchange (HDX) mass spectrometry
Michael J Chalmers, Yong Wang, Scott Novick, Patrick R Griffin, Jeffrey A Dodge.
 520Dual-mode HDAC prodrug induces an active site covalent modification with subsequent inhibitor release
Kevin B Daniel, David P Martin, William B Smith, James E Bradner, Seth M Cohen.
 521WITHDRAWN
 522Process development of 4-amino-7-bromoimidazo[2,1-f][1,2,4]triazine
Jingwei Zhu, Jun Mao, Qingning Shu, Minmin Yang, Xihan Wu.
 523Preparation of 1,4-benzodioxins via hetero-Diels-Alder reaction
Guangming Xia, Jinsong Zhang.
 524WITHDRAWN
 525Reformulated transfection reagent with a single step protocol demonstrates high transfection efficiency with low cytotoxicity
Sayantan Mitra, Thomas P Quinn, Sally Zhang, Lily Lee, Mei Fong, Andrew A Farmer.
 526Photoresponsive cross-linking oligodeoxyribonucleotides with a caged α-chloroaldehyde group
Akio Kobori, Yuta Sugihara, Yuki Nakata, Asako Yamayoshi, Akira Murakami.
 527LC/MS analysis of choline and acetylcholine in living organisms using polymer-based cation IC column
Melissa Turcotte, Junji Sasuga.
 528Selective control of drug-to-antibody ratios (DAR) using continuous flow microreactor technology
Meaghan M Sebeika, Sara E Sadler, Nicholas L Kern, David E Bell, Devan J Wilkins, Graham B Jones.
 529Optimization of photolabeling and visualization of histone deacetylase 2 in cell lysates
Thomas W Hanigan, Leo Serrebryannyy, Irida Kastrati, Antonett Madriaga, Hazem Abdulkarim, Jonna Frasor, Primal de Lanerolle, Pavel Petukhov.
 530Solution NMR investigations of weak interactions using peptidomimetic templates
Emma Danelius, Hanna Andersson, Ulrika Brath, Mate Erdelyi.
 531Retro–native chemical ligation rings in the changes for therapeutic peptides
Leila S Shariff, Derek Macmillan.
 532Development of inhibitors of the Keap1/Nrf2 interactions
Atul D Jain, Haranatha R Potteti, Sekhar Reddy, Terry W Moore.
 533Carvedilol lowers protein disulfides via the thioredoxin pathway in thiol oxidative stress
Christophina Lynch, Teresa Seefeldt.
 534Synthesis of natural product FR33289 and analogs targeting inhibition of Mtb Dxr
Robert C. Brothers, Brian Shear, Amanda Haymond, Chinchu Johnny, Robin D. Couch, Helena I. Boshoff, Cynthia S. Dowd.