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
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-biphenylalani...
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| Main Authors: | , , |
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| Format: | บทความวารสาร |
| Language: | English |
| Published: |
Science Faculty of Chiang Mai University
2019
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| Online Access: | http://it.science.cmu.ac.th/ejournal/dl.php?journal_id=8024 http://cmuir.cmu.ac.th/jspui/handle/6653943832/63876 |
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| Institution: | Chiang Mai University |
| Language: | English |
| Summary: | 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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