Original Research Article I Volume 5 I Issue 4 I 2019
In silico Molecular Docking Studies of compounds from Rumex vesicarius against Pancreatic α-Amylase
Rakesh Davella and Estari Mamidala
The American Journal Science and Medical Research; 5(4); 1-10
DOI:https://doi.org/10.5281/zenodo.7188942
Abstract:
In spite of the global occurrence of type-2 diabetes mellitus (T2DM) infection and lack of auspicious treatment for Diabetes patients, there are only a few drugs accepted for the managing of infected patients. There is an urgent need to discover newer anti-diabetic drugs with novel mechanism of action and with efforts to reduce attrition rate in early drug discovery stages. The objective of this study is the evaluation of Rumex vesicarius compounds for anti-T2DM activity. In silico anti-T2DM lead prioritization was performed on a set of known compounds from R. vesicarius medicinal plant. The energy minimized structures of these molecules were docked into Pancreatic α-Amylase. Docking experiments were done using Autodock software for seven compounds docking with α-Amylase. Rhein was found to be a lead with better docking scores. The results showed that there is scope for the improvement of activity of Isovitexin analogs to discover a potent anti-T2DM compound.
Keywords:
Docking, Pancreatic α-Amylase, Rumex vesicarius, Diabetes mellitus
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Article Dates:
Received: 11 October 2019; Accepted: 21 December 2019; Published: 28 December 2019
How To Cite:
https://doi.org/10.5281/zenodo.7188942 Received : 11 October 2019 Accepted; 21 December,2019 Available online : 28 December,2019
