title: Molecular docking analysis of RN18 and VEC5 in A3G-Vif inhibition.
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 drug development. Since the interactions of A3G and Vif evade the ubiquitination pathways in human host, the viral replication precedes which otherwise spreads infection. In this study, two potent Vif inhibitors RN 18 and VEC5 have been evaluated for their inhibitory potential employing ligand receptor and protein-protein interactions studies. VEC 5 showed better interaction with Vif than RN18. Predicted data show that VEC5 bound Vif and RN18 bound Vif showed diminished interaction to A3G compared to inhibitor unbound Vif. However, this should be further validated using in vitro studies.
authors.affiliation: Department of Pharmacology and Therapeutics, King George's Medical University, (Erstwhile C.S.M. Medical University),Lucknow- 226 003, India.
authors.forename: Chanda
authors.initials: C
authors.lastname: Sinha
authors.affiliation: Department of Pharmacology and Therapeutics, King George's Medical University, (Erstwhile C.S.M. Medical University),Lucknow- 226 003, India.
authors.forename: Anuradha
authors.initials: A
authors.lastname: Nischal
authors.affiliation: Department of Pharmacology and Therapeutics, King George's Medical University, (Erstwhile C.S.M. Medical University),Lucknow- 226 003, India.
authors.forename: Kamlesh K
authors.initials: KK
authors.lastname: Pant
authors.affiliation: Institute of Genetics and Hospital for Genetic Diseases, Osmania University, Hyderabad - 500 016, India.
authors.forename: Srinivas
authors.initials: S
authors.lastname: Bandaru
authors.affiliation: In silico Research Laboratory, Eminent Biosciences, Vijaynagar, Indore - 452 010, India.
authors.forename: Anuraj
authors.initials: A
authors.lastname: Nayarisseri
authors.affiliation: Department of Pharmacology and Therapeutics, King George's Medical University, (Erstwhile C.S.M. Medical University),Lucknow- 226 003, India.
authors.forename: Sanjay
authors.initials: S
authors.lastname: Khattri
keywords: Protein − Protein docking; RN18; VEC5; VIF-A3G interactions; Vif; Vif inhibitors