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

Abstract

: Four ligands based on Chromene derivatives have been docked into integrase of prototype foamy virus, which has high structural similarity with that of HIV-1 integrase. The Autodock Vina (Vina) software was used for this purpose. 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