COMPTuesday, August 18, 2009

8:30 AM-11:40 AM Walter E. Washington Convention Center -- 147A, Oral
Drug Discovery
Organizer, Presiding:Irache Visiers
8:30 AMComputational analysis on NMR screenings of the Pfizer Fragment Initiative collection
Qiyue Hu, Jiangli Yan, Jane M. Withka, Parag Sahasrabudhe, Cathy Moore, Jim Na, Lakshmi S. Narasimhan
9:00 AMComputational and lipophilicity based studies drive optimization of g-carbolines as CB1 agonists for analgesic activity
Sanjay Srivastava, Yun-Xing Cheng, Z-Y. Wei, Hua Yang, Xuehong Luo, Ziping Liu, Maxime Tremblay, Daniel Page, Etienne Lessard, Stéphane St-Onge, William Brown, Mirek Tomaszewski, Christopher Walpole, Thierry Groblewski
9:30 AMComputational evaluation and development of novel antiarrhythmic agents targeting human ether go-go potassium ion channel
Julia Subbontina, Vladimir Yarov-Yarovoy, James Lees-Miller, Sergei Noskov, Henry Duff
10:00 AMIntermission
10:10 AMComputer aided design of novel inhibitors of the p53-hDM2(X) interactions
Julien Michel, Anil Ekkati, Elizabeth A. Harker, Julian Tirado-Rives, Alanna Schepartz, William L Jorgensen
10:40 AMDesign of CETP inhibitors: A comparison of structure-based and knowledge-based library design methods
Meihua Tu, Dave Perry, Ravi Garigipati, George Chang, Bruce A. Lefker, Roger B. Ruggeri, Peter H. Dorff, Bob Dow, Mary Didiuk, Cheryl M Hayward
11:10 AMDevelopment of a CNS multiparameter optimization (MPO) design tool to increase the probability of a compound survival by aligning metabolism, permeability, and safety properties in one molecule
Xinjun Hou, Patrick R Verhoest, Anabella Villalobos, Travis Wager

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The 238th ACS National Meeting, Washington, DC, August 16-20, 2009