Journal of Medicinal Chemistry publishes work of HWS community members
(Sept. 21, 2004) GENEVA, N.Y.–Carol Parish, associate professor of chemistry at Hobart and William Smith Colleges, along with four of her former students, recently had the results of their HIV protease inhibitor research published in the Journal of Medicinal Chemistry. The research group is comprised of Matthew Yarger, Kent Sinclair, Myrianne Dure and Alla Goldberg.
This work used computational chemistry and molecular modeling to investigate the behavior of a series of cyclic urea HIV inhibitors that were promising drug candidates. The cyclic ureas demonstrated high affinity for the protease in vitro but were discontinued due to high blood-level variability in humans and disappointing antiviral potency in the presence of plasma proteins.
The report describes the first stage in understanding these disappointing results and sheds important light on the roles solvation and flexibility play in the function of the drug.
Yarger, a 2004 graduate of Hobart College, is currently pursing a Ph.D. in chemistry at Purdue University. Sinclair, a 2001 Hobart graduate, is working toward his doctorate in pharmacy at Albany College of Pharmacy. Dure, a 2002 graduate of William Smith College, is working at the Albert Einstein College of Medicine, while Goldberg, a 1998 William Smith graduate, recently finished studies at the New York College of Osteopathic Medicine.
For a limited time, the group's article can be accessed on the journal's Web site at http://pubs.acs.org/journals/jmcmar/.
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