Molecular docking analysis of RN18 and VEC5 in A3G-Vif inhibition |
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| Authors: | Chanda Sinha Anuradha Nischal Kamlesh K Pant Srinivas Bandaru Anuraj Nayarisseri Sanjay Khattri |
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| Affiliation: | 1.Department of Pharmacology and Therapeutics, King George''s Medical University, (Erstwhile C.S.M. Medical University),Lucknow- 226 003, India;2.Institute of Genetics and Hospital for Genetic Diseases, Osmania University, Hyderabad - 500 016, India;3.In silico Research Laboratory, Eminent Biosciences, Vijaynagar, Indore - 452 010, India |
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| Abstract: | The HIV-1 protein Vif is essential for in vivo viral replication that targets the human DNA-editing enzyme, APOBEC3G (A3G),which inhibits replication of retroviruses. The Vif-A3G interactions are believed to be important targets for antiviral drugdevelopment. Since the interactions of A3G and Vif evade the ubiquitination pathways in human host, the viral replicationprecedes which otherwise spreads infection. In this study, two potent Vif inhibitors RN 18 and VEC5 have been evaluated for theirinhibitory potential employing ligand receptor and protein-protein interactions studies. VEC 5 showed better interaction with Vifthan RN18. Predicted data show that VEC5 bound Vif and RN18 bound Vif showed diminished interaction to A3G compared toinhibitor unbound Vif. However, this should be further validated using in vitro studies. |
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| Keywords: | Vif, Vif inhibitors, RN18, VEC5, Protein − Protein docking, VIF-A3G interactions |
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