Evaluation of Biphenylalanine and Its Derivatives as Potential HIV-1 gp120 Attachment Inhibitors Based on Molecular Docking, CD4 Capture ELISA and Cytotoxicity Analysis Entry Inhibitor of HIV-1 gp120
Teow Chong Teoh* [a], Hussin A. Rothan [b] and Mohammed Rizman Idid [a,c]* Author for corresponding; e-mail address: ttchong@um.edu.my
Volume: Vol.44 No.2 (April 2017)
Research Article
DOI:
Received: -, Revised: -, Accepted: -, Published: -
Citation: Teoh T.C., Rothan H.A. and Idid M.R., Evaluation of Biphenylalanine and Its Derivatives as Potential HIV-1 gp120 Attachment Inhibitors Based on Molecular Docking, CD4 Capture ELISA and Cytotoxicity Analysis Entry Inhibitor of HIV-1 gp120 , Chiang Mai Journal of Science, 2017; 44(2): 487-493.
Abstract
Biphenylalanine and its derivatives (BPAs) are novel attachment inhibitors that target HIV-1 gp120 and prevent its binding to CD4 on host cell, designed via molecular modelling and docking using gp120-CD4 protein complex crystal structure. In this study, molecular docking 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 submicromolar concentration. The Vero cell cytotoxicity test revealed that BPAs were non-toxic up to 400 µM. L-biphenylalanine fulfils “the Lipinski rule of five” criteria as a good drug candidate.