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Bioorg Med Chem Lett. 2016 Feb 1;26(3):824-828. doi: 10.1016/j.bmcl.2015.12.087. Epub 2015 Dec 25.

Identification of a small molecule HIV-1 inhibitor that targets the capsid hexamer.

Author information

1
Department of Biochemistry & Molecular Biology, Drexel University College of Medicine, Rooms 10302-10306, 245 North 15th Street, Philadelphia, PA 19102, USA.
2
Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire SG8 0SS, UK.
3
Department of Biochemistry & Molecular Biology, Drexel University College of Medicine, Rooms 10302-10306, 245 North 15th Street, Philadelphia, PA 19102, USA. Electronic address: scocklin@drexelmed.edu.

Abstract

The HIV-1 CA protein is an attractive therapeutic target for the development of new antivirals. An inter-protomer pocket within the hexamer configuration of the CA, which is a binding site for key host dependency factors, is an especially appealing region for small molecule targeting. Using a field-based pharmacophore derived from an inhibitor known to interact with this region, coupled to biochemical and biological assessment, we have identified a new compound that inhibits HIV-1 infection and that targets the assembled CA hexamer.

KEYWORDS:

Antiviral; Computer-aided drug design; Field-based virtual screening; HIV-1 capsid protein; Surface plasmon resonance

PMID:
26747394
PMCID:
PMC4728034
DOI:
10.1016/j.bmcl.2015.12.087
[Indexed for MEDLINE]
Free PMC Article

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