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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
Paper Type  |
Contributed Paper |
Title |
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 |
Author |
Teow Chong Teoh* [a], Hussin A. Rothan [b] and Mohammed Rizman Idid [a,c] |
Email |
ttchong@um.edu.my |
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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.
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Start & End Page |
487 - 493 |
Received Date |
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Revised Date |
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Accepted Date |
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Full Text |
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Keyword |
biphenylalanine, derivatives, attachment inhibitors, HIV-1 gp120, CD4 capture ELISA, cytotoxicity |
Volume |
Vol.44 No.2 (April 2017) |
DOI |
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Citation |
[a] T.C.T., [b] H.A.R., [a M.R.I. and C] , 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. |
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