Machine learning and molecular dynamics simulations predict potential TGR5 agonists for type 2 diabetes treatment

Machine learning and molecular dynamics simulations predict potential TGR5 agonists for type 2 diabetes treatment

IntroductionTreatment of type 2 diabetes (T2D) remains a significant challenge because of its multifactorial nature and complex metabolic pathways. There is growing interest in finding new therapeutic targets that could lead to safer and more effective treatment options. Takeda G protein-coupled rec...

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Main Authors: Ojochenemi A. Enejoh, Chinelo H. Okonkwo, Hector Nortey, Olalekan A. Kemiki, Ainembabazi Moses, Florence N. Mbaoji, Abdulrazak S. Yusuf, Olaitan I. Awe
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-01-01
Series:Frontiers in Chemistry
Subjects:
TGR5
type 2 diabetes
machine learning
molecular docking
molecular dynamics simulation
COCONUT database
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2024.1503593/full
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https://www.frontiersin.org/articles/10.3389/fchem.2024.1503593/full

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