Virtual screening based identification of novel small-molecule inhibitors targeted to the HIV-1 capsid.

ABSTRACT: The hydrophobic cavity of the C-terminal domain (CTD) of HIV-1 capsid has been recently validated as potential target for antiviral drugs by peptide-based inhibitors; however, there is no report yet of any small molecule compounds that target this hydrophobic cavity. In order to fill this gap and discover new classes of ant-HIV-1 inhibitors, we undertook a docking-based virtual screening and subsequent analog search, and medicinal chemistry approaches to identify small molecule inhibitors against this target. This article reports for the first time, to the best of our knowledge, identification of diverse classes of inhibitors that efficiently inhibited the formation of mature-like viral particles verified under electron microscope (EM) and showed potential as anti-HIV-1 agents in a viral i

SUBMITTER: Curreli F 

PROVIDER: S-EPMC3034313 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature