Therapeutic Targets and Molecular Mechanisms of Resveratrol in Amyotrophic Lateral Sclerosis: A Systematic Study of Network Pharmacology Incorporating Molecular Docking

作者：Xu Zhang, Bingcang Yan, Chengbao Fu, Lan Li, Ruoxue Bai, Nan Cheng, Jun Chen · 发表于：MEDS Clinical Medicine · 年份：2023 · DOI：10.23977/medsc.2023.040713 · 研究领域：Amyotrophic Lateral Sclerosis Research、Parkinson's Disease Mechanisms and Treatments、Neurological diseases and metabolism

In order to explore the therapeutic targets and molecular mechanisms of resveratrol in amyotrophic lateral sclerosis based on network pharmacology and molecular docking techniques. In this study, we obtained the active compounds of resveratrol from TCMSP Chinese Medicine System Pharmacology database and used the Swiss Target Prediction platform to predict the potential targets of the active compounds. The effective targets of amyotrophic lateral sclerosis were obtained from GeneCards database, and the intersection was taken with the potential targets of resveratrol. Protein interaction networks were performed using the STRING database, and further network topology analysis was performed using Cytoscape 3.9.1 software. Meanwhile, gene ontology (GO) functional analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed on the intersecting targets by Metascape database; finally, molecular docking validation was carried out by Pubchem and PDB databases as well as by Pymol and Autodocktools software. Resultly, forty-nine potential targets of resveratrol and 1599 potential targets of amyotrophic lateral sclerosis were obtained. The enrichment analysis showed that resveratrol could have therapeutic effects on amyotrophic lateral sclerosis through multi-targets and multi-pathways. The molecular docking results showed that the core components could bind to the core targets better. Resveratrol mainly acts on Pathways in cancer pathway, Proteog...