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

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

卷:26

Article

Xu, Jimmy P.¹  Branson, Jeffrey D.¹  Lawrence, Rae²  Cocklin, Simon¹ 

[1] Drexel Univ, Coll Med, Dept Biochem & Mol Biol, Rooms 10302-10306,245 North 15th St, Philadelphia, PA 19102 USA

[2] Cresset, New Cambridge House,Bassingbourn Rd, Litlington SG8 0SS, Cambs, England

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

DOI  :  10.1016/j.bmcl.2015.12.087

来源: Elsevier

【 摘 要 】

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. (C) 2015 Elsevier Ltd. All rights reserved.

【 授权许可】

Free