Conformational Characterization of the Co-Activator Binding Site Revealed the Mechanism to Achieve the Bioactive State of FXR

Conformational Characterization of the Co-Activator Binding Site Revealed the Mechanism to Achieve the Bioactive State of FXR

FXR bioactive states are responsible for the regulation of metabolic pathways, which are modulated by agonists and co-activators. The synergy between agonist binding and ‘co-activator’ recruitment is highly conformationally driven. The characterization of conformational dynamics is essential for mec...

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Bibliographic Details
Main Authors: Anita Kumari, Lovika Mittal, Mitul Srivastava, Dharam Pal Pathak, Shailendra Asthana
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-08-01
Series:Frontiers in Molecular Biosciences
Subjects:
farnesoid X receptor
agonist
molecular dynamics simulation
binding free energy calculations
principal component analysis
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2021.658312/full

Internet

https://www.frontiersin.org/articles/10.3389/fmolb.2021.658312/full

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