Teow Chong Teoh
University of Malaya, Malaysia
Title: In silico, In vitro and cytotoxicity investigations of biphenylalanine and its derivatives as potential hiv-1 gp120 attachment inhibitors entry inhibitor of HIV-1 gp120
Biography
Biography: Teow Chong Teoh
Abstract
In this study, molecular modelling and docking of gp120-CD4 protein complex crystal structure (PDBID: 1g9n) was used to design a novel attachment inhibitor, biphenylalanine, and its derivatives (BPAs) that target HIV-1 gp120 and prevent its binding to CD4 on host cell. Molecular docking results by AutoDock Vina showed that L-biphenylalanine has highest binding probability than D-biphenylalanine and L-methyl-biphenylalanine and exhibited low negative docked energy. The CD4 capture ELISA experiments indicated that L-biphenylalanine has an IC50 at 200µM. BPAs were non-toxic up to 400µM in the Vero cell cytotoxicity test. In addition, BPAs fulfil “the Lipinski rule of five†criteria as good drug candidates.