Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors

Year 2019, Volume: 6 Issue: 2, 133 - 142, 15.06.2019

Nevin Arslan

https://doi.org/10.18596/jotcsa.478772

Cited By: 2

Abstract

Four ligands based on chromene derivatives have been docked into integrase of prototype foamy virus, which has a quite similar structural similarity with that of HIV-1 integrase using Autodock Vina (Vina). The docking scores for the derivatives are -7.3 kcal/mol, -7.5 kcal/mol, -6.9 kcal/mol, and -7.2 kcal/mol, respectively, which are comparable with that for Raltegravir (-10.7 kcal/mol). The docking results provide a detailed evidence for the interactions of four chromene derivatives. The results may lead to the design and development of new drug candidates against AIDS

Keywords

molecular docking

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