Pharmacognosy Magazine

ORIGINAL ARTICLE
Year
: 2015  |  Volume : 11  |  Issue : 42  |  Page : 123--126

In silico analysis and molecular docking studies of potential angiotensin-converting enzyme inhibitor using quercetin glycosides


Syed Aun Muhammad1, Nighat Fatima2 
1 Institute of Molecular Biology and Biotechnology, Bahauddin Zakariya University, Multan, Pakistan
2 Department of Pharmacy, COMSATS Institute of Information Technology, Abbottabad, Pakistan

Correspondence Address:
Dr. Syed Aun Muhammad
Institute of Molecular Biology and Biotechnology, Bahauddin Zakariya University, Multan
Pakistan

The purpose of this study was to analyze the inhibitory action of quercetin glycosides by computational docking studies. For this, natural metabolite quercetin glycosides isolated from buckwheat and onions were used as ligand for molecular interaction. The crystallographic structure of molecular target angiotensin-converting enzyme (ACE) (peptidyl-dipeptidase A) was obtained from PDB database (PDB ID: 1O86). Enalapril, a well-known brand of ACE inhibitor was taken as the standard for comparative analysis. Computational docking analysis was performed using PyRx, AutoDock Vina option based on scoring functions. The quercetin showed optimum binding affinity with a molecular target (angiotensin-converting-enzyme) with the binding energy of −8.5 kcal/mol as compared to the standard (−7.0 kcal/mol). These results indicated that quercetin glycosides could be one of the potential ligands to treat hypertension, myocardial infarction, and congestive heart failure.


How to cite this article:
Muhammad SA, Fatima N. In silico analysis and molecular docking studies of potential angiotensin-converting enzyme inhibitor using quercetin glycosides.Phcog Mag 2015;11:123-126


How to cite this URL:
Muhammad SA, Fatima N. In silico analysis and molecular docking studies of potential angiotensin-converting enzyme inhibitor using quercetin glycosides. Phcog Mag [serial online] 2015 [cited 2020 Mar 29 ];11:123-126
Available from: http://www.phcog.com/article.asp?issn=0973-1296;year=2015;volume=11;issue=42;spage=123;epage=126;aulast=Muhammad;type=0