Back to Search Start Over

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

Authors :
Nevin Arslan
Arslan, Nevin
Source :
Journal of the Turkish Chemical Society, Section A: Chemistry, Vol 6, Iss 2, Pp 133-142 (2019), Volume: 6, Issue: 2 133-142, Journal of the Turkish Chemical Society Section A: Chemistry
Publication Year :
2019
Publisher :
Journal of the Turkish Chemical Society, Section A: Chemistry, 2019.

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

Details

Language :
English
ISSN :
21490120
Database :
OpenAIRE
Journal :
Journal of the Turkish Chemical Society, Section A: Chemistry, Vol 6, Iss 2, Pp 133-142 (2019), Volume: 6, Issue: 2 133-142, Journal of the Turkish Chemical Society Section A: Chemistry
Accession number :
edsair.doi.dedup.....405d7008b635662bc9ec136cc6219bda