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

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

Journal Name: The Natural Products Journal

Volume 11 , Issue 3 , 2021

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Graphical 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.

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

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Article Details

Year: 2021
Published on: 20 April, 2020
Page: [383 - 391]
Pages: 9
DOI: 10.2174/2210315510999200420113754
Price: $25

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