Ontology highlight
ABSTRACT:
SUBMITTER: Lee-Huang S
PROVIDER: S-EPMC1857318 | biostudies-literature | 2007 Mar
REPOSITORIES: biostudies-literature
Lee-Huang Sylvia S Huang Philip Lin PL Zhang Dawei D Lee Jae Wook JW Bao Ju J Sun Yongtao Y Chang Young-Tae YT Zhang John J Huang Paul Lee PL
Biochemical and biophysical research communications 20070122 4
We report molecular modeling and functional confirmation of Ole and HT binding to HIV-1 integrase. Docking simulations identified two binding regions for Ole within the integrase active site. Region I encompasses the conserved D64-D116-E152 motif, while region II involves the flexible loop region formed by amino acid residues 140-149. HT, on the other hand, binds to region II. Both Ole and HT exhibit favorable interactions with important amino acid residues through strong H-bonding and van der W ...[more]