Activity and molecular modeling of a new small molecule active against NNRTI-resistant HIV-1 mutants.
Basic Information
ID: ALA1154169
Journal: Eur J Med Chem
Title: Activity and molecular modeling of a new small molecule active against NNRTI-resistant HIV-1 mutants.
Authors: Carta A, Pricl S, Piras S, Fermeglia M, La Colla P, Loddo R.
Abstract: In this preliminary study we report the antiviral screening of triazolo[4,5-g]quinoline derivatives (compounds 1-6). 4,9-Dihydrotriazolo[4,5-g]quinoline-1-oxide (1) stood out as a new, small molecule endowed with a selective, promising activity in cell-based assays against HIV-1wt and clinically relevant NNRTI resistant mutants. In order to identify the molecular target, compound 1 was assayed in enzyme assay against the HIV-1wt RT. The molecular modeling strategy adopted yielded a rationale, in terms of molecular interactions and free energy of binding, for the possible reasons of the activity of this compound against NNRTI-resistant HIV-1 mutants with the RT isoforms K103N and Y181C.
CiteXplore: 19775780
DOI: 10.1016/j.ejmech.2009.08.012
Patent ID: ┄