Peer Review #2 of "Utilizing network pharmacology and molecular docking to explore the underlying mechanism of Guizhi Fuling Wan in treating endometriosis (v0.2)"

2021 · doi:10.7287/peerj.11087v0.2/reviews/2 · W4210870204
peer-review OA: gold CC0
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Abstract

Background.Guizhi Fuling Wan (GZFLW) is a widely used classical Chinese herbal formulae prescribed for the treatment of endometriosis (EMs).This study aimed to predict the key targets and mechanisms of GZFLW in the treatment of EMs by network pharmacology and molecular docking.Methods.Firstly, related compounds and targets of GZFLW were identified through the TCMSP, BATMAN-TCM and CASC Database.Then, the EMs target database was built by GeneCards.The overlapping targets between GZFLW and EMs were screened out, and then data of the PPI network was obtained by the String database to analyze the interrelationship of these targets.Furthermore, a topological analysis was performed to screen the hub targets.After that, molecular docking technology was used to confirm the binding degree of the main active compounds and hub targets.Finally, the DAVID database and Metascape database were used for GO and KEGG enrichment analysis.Results.A total of 89 GZFLW compounds and 284 targets were collected.One hundred one matching targets were picked out as the correlative targets of GZFLW in treating EMs.Among these, 25 significant hub targets were recognized by the PPI network.Coincidently, molecular docking simulation indicated that the hub targets had a good bonding activity with most active compounds (69.71%).Furthermore, 116 items, including the inflammatory reaction, RNA polymerase, DNA transcription, growth factor activity, and steroid-binding, were selected by GO enrichment analysis.Moreover, the KEGG enrichment analysis results included 100 pathways focused on the AGE-RAGE pathway, HIF pathway, PI3K Akt pathway, MAPK pathway, and TP53 pathway, which exposed the potential mechanisms of GZFLW in treating EMs.Conclusion.Through the exploration of network pharmacology and molecular docking technology, GZFLW has a therapeutic effect on EMs through multi-target mechanism.This study provided a good foundation for further experimental research.

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endometriosis

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