Computer-Aided Screening of Phytoconstituents from <i>Ocimum tenuiflorum</i> against Diabetes Mellitus Targeting DPP4 Inhibition: A Combination of Molecular Docking, Molecular Dynamics, and Pharmacokinetics Approaches

Computer-Aided Screening of Phytoconstituents from <i>Ocimum tenuiflorum</i> against Diabetes Mellitus Targeting DPP4 Inhibition: A Combination of Molecular Docking, Molecular Dynamics, and Pharmacokinetics Approaches

Diabetes mellitus is a major global health concern in the current scenario which is chiefly characterized by the rise in blood sugar levels or hyperglycemia. In the context, DPP4 enzyme plays a critical role in glucose homeostasis. DPP4 targets and inactivates incretin hormones such as glucagon-like...

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Bibliographic Details
Main Authors: Harshit Sajal, Shashank M. Patil, Ranjith Raj, Abdullah M. Shbeer, Mohammed Ageel, Ramith Ramu
Format: Article
Language:English
Published: MDPI AG 2022-08-01
Series:Molecules
Subjects:
DPP4 inhibition
<i>Ocimum tenuiflorum</i>
in silico approach
molecular docking
molecular dynamics simulations
binding free energy calculations
Online Access:https://www.mdpi.com/1420-3049/27/16/5133

Internet

https://www.mdpi.com/1420-3049/27/16/5133

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