Analyzing Phytochemicals as Inhibitors of Diabetes Mellitus 2 Causing Proteins based on Computer-Aided Drug Discovery Protocols

Title:Analyzing Phytochemicals as Inhibitors of Diabetes Mellitus 2 Causing Proteins based on Computer-Aided Drug Discovery Protocols

Volume: 11 Issue: 3

Author(s): Sobia Nazir Chaudry, Waqar Hussain and Nouman Rasool*

Affiliation:

• Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270,Pakistan

Keywords: ADMET, diabetes mellitus, type 2 diabetes, molecular docking, phytochemicals, DFT.

Abstract:

Background: Diabetes Mellitus type 2 is one of the complex diseases, affecting people both in developed and developing countries. Plant extracted compounds known as phytochemicals are worthy because they have various medicinal properties.

Objective: The present study aimed at the in silico discovery of novel potent inhibitors against Diabetes Mellitus type 2.

Methods: A total of 2750 phytochemicals from various medicinal important plants were collected for this study. The origin of these plants was Pakistan and India. The ADMET, molecular docking approaches were used to determine the binding and reactivity of these phytochemicals as Diabetes Mellitus type 2 inhibitors.

Results: The ADMET analysis and molecular docking resulted in the selection of 42 phytochemicals (3 against Glucokinase receptor, 22 against Fructose 1,6 Bisphosphate protein and 17 for multidrugresistant protein) showing high binding affinity as compared to the previously reported inhibitors of Diabetes Mellitus type 2.

Conclusion: These 42 phytochemicals can be considered novel inhibitors against Diabetes Mellitus type 2 and can be selected for additional in vitro and in vivo studies to develop a suitable drug against diabetes.

Cite this article as:

Chaudry Nazir Sobia , Hussain Waqar and Rasool Nouman *, Analyzing Phytochemicals as Inhibitors of Diabetes Mellitus 2 Causing Proteins based on Computer-Aided Drug Discovery Protocols, The Natural Products Journal 2021; 11 (3) . https://dx.doi.org/10.2174/2210315510999200420113754