Study on the mechanism of action of 5 Mongolian medicines against skin photoaging based on network pharmacology and molecular docking

XU Jinfan; WU Guodong; YU Xianglin; DONG Zhiheng; BAO Lidao; LIU Quanli

doi:10.16833/j.cnki.jbmc.2023.07.001

2023 , Vol. 39 >Issue 7: 1 - 7

DOI: https://doi.org/10.16833/j.cnki.jbmc.2023.07.001

Study on the mechanism of action of 5 Mongolian medicines against skin photoaging based on network pharmacology and molecular docking

XU Jinfan ,
WU Guodong ,
YU Xianglin ,
DONG Zhiheng ,
BAO Lidao ,
LIU Quanli

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1. Department of Pharmacy, Baotou Medical College, Baotou 014040, China;
2. Department of Pharmacy, Affiliated Hospital of Inner Mongolia Medical University, Baotou 014040, China;
3. Hohhot Mongolian Hospital of Traditional Chinese Medicine, Baotou 014040, China;
4. Institute of Bioactive Substance and Function of Mongolian Medicine and Chinese Materia Medica, Baotou Medical College, Baotou 014040, China

Received date: 2022-11-24

Online published: 2023-08-31

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Abstract

Objective: To the mechanism of action of Radix Angelicae Sinensis, Poria, Angelica sinensis, Cnidii Fructus and Borneolum based on network pharmacology and molecular docking. Methods: The TCMSP database, TCMDatabase@Taiwan database, and Swiss Target Prediction database were used to collect the active compounds and corresponding targets of 5 Mongolian medicines. The GeneCards and the NCBI Gene database were used to collect the targets of skin photoaging diseases. The STRING database was used to construct a PPI network of the intersecting targets of herbs and disease. The Metascape database was applied for GO and KEGG pathway enrichment analysis of the targets. Molecular docking between active compounds and targets was verified by Autodock. Results: 35 active ingredients and 241 disease-related targets were obtained through database screening. A total of 126 nodes and 387 edges were involved in the herbs-active compounds-targets-disease network. 15 important nodes were obtained by obtaining network topology. 6 important target proteins were obtained by protein interaction network analysis. 15 entries of biological processes were obtained with GO enrichment analysis. KEGG signaling pathway enrichment analysis yielded 8 signaling pathways. The molecular docking results showed that the active compounds docked with the core target protein in a stable conformation. Conclusion: The mechanism of action of the 5 Mongolian medicines against skin photoaging are mainly related to cancer signaling pathway, and their mechanisms of action may be related to the regulation of apoptosis, enhancement of oxidative stress, and promotion of vascular renewal.

Key words： Mongolian medicine; Skin photoaging; Network pharmacology; Molecular docking

Cite this article

XU Jinfan , WU Guodong , YU Xianglin , DONG Zhiheng , BAO Lidao , LIU Quanli . Study on the mechanism of action of 5 Mongolian medicines against skin photoaging based on network pharmacology and molecular docking[J]. Journal of Baotou Medical College, 2023 , 39(7) : 1 -7 . DOI: 10.16833/j.cnki.jbmc.2023.07.001

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