COMPSunday, August 16, 2009

8:20 AM-12:15 PM Walter E. Washington Convention Center -- 143A, Oral
Computational Chemistry in the Discovery & Development of Novel Anti-Infective Agents
Organizer, Presidings:G. Scott Weston
Ryszard J. Czerminski
John I. Manchester
8:20 AMIntroductory Remarks
8:30 AM2'-F-2'-C-Methyl nucleosides for the treatment of HCV: From discovery to the clinic
Michael J. Sofia
9:00 AMModeling binding modes of HIV integrase inhibitors
Xiaowu Chen, S. Swaminathan, James M. Chen
9:30 AMIdentifying novel anthrax toxin lethal factor inhibitors via topomeric searching and docking/scoring
Elizabeth A. Amin, Ting-Lan Chiu, Derek Hook, Michael A. Walters, Satish Patil
10:00 AMIntermission
10:15 AMFragment-based molecular docking in inhibitor discovery against CTX-M class A β-lactamase
Yu Chen, Brian Shoichet
10:45 AMDesign and optimization of novel peptide deformylase inhibitors as new antibacterial agents
Kelly M. Aubart, Andrew B. Benowitz, Xiangmin Liao, Joseph M. Karpinski, Jinhwa Lee, Jason Dreabit, Yuhong Fang, Andrew Knox, Stephanie Kelly, Nino Campobasso, Chaya Duraiswami, Kate J. Smith, Maxwell Cummings, Jacques Briand, Swarupa Kulkarni, Thomas F. Lewandowski, Peter DeMarsh, Rimma Zonis, Lynn McCloskey, Stephen Rittenhouse, Siegfried B. Christensen, Magdalena Zalacain, Martha Head
11:15 AMDe novo design of novel polypeptide deformylase (PDF) inhibitor templates with broad spectrum antibacterial activity
Chaya Duraiswami, Robert A Daines, Nino Campobasso, Mythili Vimal, Israil Pendrak, Magdalena Zalacain, Kelly M. Aubart
11:45 AMDiscovery of novel small-molecule inhibitors of P. falciparum using the hybrid structure based method
Sandhya Kortagere, JM Morrisey, J Bosch, KD Laroiya, T Daly, WJ Welsh, E Fan, W Hol, P Sinnis, I Ejigiri, LW Bergman, AB Vaidya

Computational Chemistry in the Discovery & Development of Novel Anti-Infective Agents -- Next Session

Symposium Grid -- Division of Computers in Chemistry -- Session Listing

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