Li ZH, Yang GH, Wang F. Molecular mechanisms of Baihedihuang decoction as a treatment for breast cancer related anxiety: A network pharmacology and molecular docking study. World J Clin Cases 2022; 10(33): 12104-12115 [PMID: 36483797 DOI: 10.12998/wjcc.v10.i33.12104]
Corresponding Author of This Article
Fang Wang, MD, Chief Doctor, Department of Oncology, Wangjing Hospital, China Academy of Chinese Medical Sciences, No. 6 Huajiadi Street, Chaoyang District, Beijing 100102, China. wf074500@163.com
Research Domain of This Article
Oncology
Article-Type of This Article
Clinical and Translational Research
Open-Access Policy of This Article
This article is an open-access article which was selected by an in-house editor and fully peer-reviewed by external reviewers. It is distributed in accordance with the Creative Commons Attribution Non Commercial (CC BY-NC 4.0) license, which permits others to distribute, remix, adapt, build upon this work non-commercially, and license their derivative works on different terms, provided the original work is properly cited and the use is non-commercial. See: http://creativecommons.org/licenses/by-nc/4.0/
World J Clin Cases. Nov 26, 2022; 10(33): 12104-12115 Published online Nov 26, 2022. doi: 10.12998/wjcc.v10.i33.12104
Molecular mechanisms of Baihedihuang decoction as a treatment for breast cancer related anxiety: A network pharmacology and molecular docking study
Zhong-Hui Li, Guo-Hua Yang, Fang Wang
Zhong-Hui Li, Guo-Hua Yang, Fang Wang, Department of Oncology, Wangjing Hospital, China Academy of Chinese Medical Sciences, Beijing 100102, China
Author contributions: Li ZH wrote the manuscript; Yang GH and Wang F provided key comments and revised the manuscript; all authors approved the final manuscript.
Conflict-of-interest statement: All authors declare that there is no conflict of interest regarding the publication of this paper.
Data sharing statement: Technical appendix, statistical code, and dataset available from the manuscript.
Open-Access: This article is an open-access article that was selected by an in-house editor and fully peer-reviewed by external reviewers. It is distributed in accordance with the Creative Commons Attribution NonCommercial (CC BY-NC 4.0) license, which permits others to distribute, remix, adapt, build upon this work non-commercially, and license their derivative works on different terms, provided the original work is properly cited and the use is non-commercial. See: https://creativecommons.org/Licenses/by-nc/4.0/
Corresponding author: Fang Wang, MD, Chief Doctor, Department of Oncology, Wangjing Hospital, China Academy of Chinese Medical Sciences, No. 6 Huajiadi Street, Chaoyang District, Beijing 100102, China. wf074500@163.com
Received: July 15, 2022 Peer-review started: July 15, 2022 First decision: August 21, 2022 Revised: September 4, 2022 Accepted: October 12, 2022 Article in press: October 12, 2022 Published online: November 26, 2022 Processing time: 130 Days and 22.9 Hours
ARTICLE HIGHLIGHTS
Research background
The treatment effect of breast cancer related anxiety is not good and the side effects are obvious. The clinical effect of Baihedihuang decoction is better, but its mechanism is unknown.
Research motivation
To explore the mechanism of Baihedihuang decoction in treating breast cancer related anxiety.
Research objectives
To explore the relationship between drug targets of Baihedihuang decoction and breast cancer related anxiety disorders.
Research methods
Network pharmacology and molecular docking technology were mainly used in this study.
Research results
We screened 16 active ingredients of Baihedihuang decoction for breast cancer related anxiety, with 113 target proteins. Finally, molecular docking was performed with Vina software to validate the key active ingredients in Baihedihuang decoction with the selected key action targets. The molecular docking results showed that verbascoside, β-sitosterol, stigmasterol, and CDK2 could stably bind and interact through amino acid residues SER249, ARG260, PRO228, ALA282, SER276, LYS273, ASN272, etc.
Research conclusions
The therapeutic effect of Baihedihuang decoction for breast cancer related anxiety is multi-level, multi-target, and multi-pathway.
Research perspectives
The results of this study could serve as a fundamental basis for the further exploration in the in vitro and in vivo experiments for clinical promotions.
