Mechanisms Underlying the Protective Effects of Obeticholic Acid-Activated FXR in Valproic Acid-Induced Hepatotoxicity via Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulations.

Ya'nan Chen Jingkai Zhou Shansen XuLei Wang

Published in: Current computer-aided drug design (2024)

Our findings suggest that OCA exhibits potential therapeutic efficacy against VPAinduced hepatotoxicity through multiple targets and pathways, thereby highlighting the therapeutic potential of FXR as a target for treating VPA-induced hepatotoxicity.

Keyphrases

molecular dynamics simulations
molecular docking
drug induced
high glucose
diabetic rats
risk assessment