Ontology highlight
ABSTRACT:
SUBMITTER: Barreiro G
PROVIDER: S-EPMC2575345 | biostudies-literature | 2007 Nov
REPOSITORIES: biostudies-literature
Barreiro Gabriela G Kim Joseph T JT Guimarães Cristiano R W CR Bailey Christopher M CM Domaoal Robert A RA Wang Ligong L Anderson Karen S KS Jorgensen William L WL
Journal of medicinal chemistry 20071006 22
Virtual screening of the Maybridge library of ca. 70 000 compounds was performed using a similarity filter, docking, and molecular mechanics-generalized Born/surface area postprocessing to seek potential non-nucleoside inhibitors of human immunodeficiency virus-1 (HIV-1) reverse transcriptase (NNRTIs). Although known NNRTIs were retrieved well, purchase and assaying of representative, top-scoring compounds from the library failed to yield any active anti-HIV agents. However, the highest-ranked l ...[more]