International Journal of Chemical Studies
Vol. 5, Issue 4 (2017)
Comparative docking studies to prove the accuracy of computational tools for recognizing the inhibitory action of garlic (Allium sativum L.) on diabetes
Author(s): N Roy, PA Nazeem and PS Abida
Abstract: Diabetes mellitus (DM) is a major metabolic disease occurring worldwide both in developed and developing countries. It is symptomized with hyperglycemia and insufficiency in insulin secretion and action. There are several therapeutic targets present in our body, the overexpression or dysregulation of which provokes inception of DM. Garlic (Allium sativum L.) is one of the most widely used spice crop as a popular remedy for various ailments and disorders due to the presence of bioactive organosulfur compounds (OSCs). The objective of the present study was to check the accuracy of in silico tools in re-establishing the inhibitory activity of most common garlic OSCs on those targets through molecular docking (MD) studies and also evaluate drug likeliness of the best OSCs through pharmacokinetic analysis. These analyses were conducted using Discovery Studio (DS) software version 4.0. MD studies revealed four OSCs from garlic which inhibit the druggable targets thus highlighting their action over health.
Pages: 342-345 | 663 Views 10 Downloads
How to cite this article:
N Roy, PA Nazeem, PS Abida. Comparative docking studies to prove the accuracy of computational tools for recognizing the inhibitory action of garlic (Allium sativum L.) on diabetes. Int J Chem Stud 2017;5(4):342-345.