Ontology highlight
ABSTRACT:
SUBMITTER: Allen WJ
PROVIDER: S-EPMC4459904 | biostudies-literature | 2015 Jul
REPOSITORIES: biostudies-literature
Allen William J WJ Yi Hyun Ah HA Gochin Miriam M Jacobs Amy A Rizzo Robert C RC
Bioorganic & medicinal chemistry letters 20150428 14
Identification of mechanistically novel anti-HIV fusion inhibitors was accomplished using a computer-aided structure-based design approach with the goal of blocking the formation of the N-heptad repeat (NHR) trimer of the viral protein gp41. A virtual screening strategy that included per-residue interaction patterns (footprints) was employed to identify small molecules compatible with putative binding pockets at the internal interface of the NHR helices at the core native viral six-helix bundle. ...[more]