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Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors
- 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
- Subjects :
- Stereochemistry
010402 general chemistry
01 natural sciences
Autodock vina
Chromene derivatives
lcsh:Chemistry
HIV-1 integrase inhibitors
medicine
biology
010405 organic chemistry
Chemistry
digestive, oral, and skin physiology
General Chemistry
molecular docking
Raltegravir
Kimya, Uygulamalı
0104 chemical sciences
Integrase
Chemistry, Applied
AIDS
lcsh:QD1-999
Docking (molecular)
Molecular docking
biology.protein
Hiv 1 integrase
medicine.drug
Subjects
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