Ontology highlight
ABSTRACT:
SUBMITTER: Chang YC
PROVIDER: S-EPMC3355519 | biostudies-literature | 2012 Apr
REPOSITORIES: biostudies-literature
Chang Yu-Chung E YC Yu XiaXia X Zhang Ying Y Tie Yunfeng Y Wang Yuan-Fang YF Yashchuk Sofiya S Ghosh Arun K AK Harrison Robert W RW Weber Irene T IT
Journal of medicinal chemistry 20120322 7
GRL-02031 (1) is an HIV-1 protease (PR) inhibitor containing a novel P1' (R)-aminomethyl-2-pyrrolidinone group. Crystal structures at resolutions of 1.25-1.55 Å were analyzed for complexes of 1 with the PR containing major drug resistant mutations, PR(I47V), PR(L76V), PR(V82A), and PR(N88D). Mutations of I47V and V82A alter residues in the inhibitor-binding site, while L76V and N88D are distal mutations having no direct contact with the inhibitor. Substitution of a smaller amino acid in PR(I47V) ...[more]