In Silico Investigation Reveals <i>IL-6</i> as a Key Target of Asiatic Acid in Osteoporosis: Insights from Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation.

ABSTRACT:

Background/objectives

Osteoporosis is a multifactorial skeletal disorder in which chronic inflammation, dysregulated cytokine signaling, and metabolic imbalance contribute to excessive bone resorption and impaired bone formation. Asiatic acid has demonstrated bone-protective effects, but its molecular mechanisms in osteoporosis remain incompletely understood. This study aimed to investigate the anti-osteoporotic mechanisms of asiatic acid using an integrative in silico strategy.

Methods

Network pharmacology analysis was performed to identify osteoporosis-related molecular targets of asiatic acid. Molecular docking was used to predict the binding modes and affinities between asiatic acid and its target proteins. Molecular dynamics simulation was used to assess the structural

SUBMITTER: Chulrik W 

PROVIDER: S-EPMC12821701 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature