Exploring the Effects and Mechanisms of Valerian Volatile Oil in Treating Insomnia Using Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation-Based Approaches.

ABSTRACT: Valerian possesses a multitude of pharmacological effects, including sedative and hypnotic properties, antihypertensive effects, antibacterial activity, and liver protection. Insomnia, one of the most prevalent disorders in contemporary society, significantly impacts people's daily lives. This study aims to explore the anti-insomnia effects of valerian volatile oil (VVO) and investigate its potential mechanism of action through chemical analysis, network pharmacology, molecular docking, molecular dynamics simulations, and experimental validation. Through gas chromatography-mass spectrometry (GC-MS) analysis and drug-likeness screening, we identified 38 active compounds. Network pharmacology studies revealed that these 38 compounds might affect 103 targets associated with insomnia, such as

SUBMITTER: Muhetaer H 

PROVIDER: S-EPMC11855732 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature