Network pharmacology and in-silico studies for molecular mechanisms of analgesic, anti-inflammatory and anti-arthritic effects of Withania somnifera (L.) Dunal phytoconstituents.

ABSTRACT:

Background

Withania somnifera (L.) Dunal, commonly known as ashwagandha, is an Ayurvedic herb belonging to the family Solanaceae.

Objectives

This study aims to explore the analgesic, anti-inflammatory and anti-arthritic potential of phytoconstituents of Withania somnifera (L.) Dunal (W. somnifera) by network pharmacology and in-silico docking studies.

Methods

Five major phytoconstituents, namely ashwagandhanolide, quercetin, withaferin A, withanone and withanolide A, were selected for the network pharmacology study. All five phytoconstituents were further evaluated for their binding properties using molecular docking (MD) and simulation tools. The compounds that exhibited significant binding affinities were further studied for pharmacokinetic and toxicity (ADMET) pred

SUBMITTER: Tambe MS 

PROVIDER: S-EPMC12268575 | biostudies-literature | 2025 Jun

REPOSITORIES: biostudies-literature