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

• Main Authors: Teow Chong Teoh, Hussin A. Rothan, Mohammed Rizman Idid
• Format: บทความวารสาร
• Language: English
• Published: Science Faculty of Chiang Mai University 2019
• Online Access: http://it.science.cmu.ac.th/ejournal/dl.php?journal_id=8024; http://cmuir.cmu.ac.th/jspui/handle/6653943832/63876
• Institution: Chiang Mai University

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.