The mechanism of Medicoscab tincture in the treatment of second-degree burns based on network pharmacology and molecular docking technology
10.12206/j.issn.2097-2024.202307014
- VernacularTitle:基于网络药理学与分子对接技术研究制痂酊治疗Ⅱ度烧伤的作用机制
- Author:
Qiang ZHANG
1
;
Jing LI
2
;
Yue LIU
2
;
Xiaoqin CHU
2
Author Information
1. Pharmaceutical Department, Nanjing Gulou Hospital Group Anqing Petrochemical Hospital, Anqing 246002, China.
2. School of Pharmacy, Anhui University of Chinese Medicine, Hefei 230012, China.
- Publication Type:Originalarticles
- Keywords:
medicoscab tincture;
burn;
network pharmacology;
molecular docking technology
- From:
Journal of Pharmaceutical Practice and Service
2025;43(8):377-382
- CountryChina
- Language:Chinese
-
Abstract:
Objective To explore the mechanism of Medicoscab tincture in the treatment of second-degree burns based on network pharmacology and molecular docking technology. Methods The effective components of the tincture were screened by the TCMSP; the effective components of the tincture and burn related targets were screened by GeneCards and OMIM database; Cytoscape 3.7.2 software was used to draw “Chinese medicine-disease-effective components-targets” network diagram; the related gene ontology （GO） functions and pathways of the tincture were obtained through GO enrichment analysis and Kyoto encyclo-pedia of genes and geomes （KEGG） pathway analysis on the targets through Metascape platform; the pathway bubble diagram was constructed by the pathways enriched in the KEGG database, and finally verified by AutoDockTools for molecular alignment. Results 19 effective components and 179 target intersections of Medicoscab tincture were selected. GO analysis showed the intervention burns process mainly involved the reaction of inorganic substances, the reaction of cells to nitrogen compounds, and the response to xenobiotic stimuli, as well as biological processes such as membrane rafts, vesicular cavities, transcriptional regulatory factor complexes, receptor complexes, and endoplasmic reticulum cavities. KEGG analysis showed the function mainly includes AGE-RAGE signal pathway, PI3K-Akt signal pathway, IL-17 signal pathway, TNF signal pathway, etc. Analysis of cytoscape software showed the core targets were AKT1, TNF, IL-6, GAPDH, TP53, etc. Molecular docking showed that the active components of Medicoscab tincture were docking with multiple targets, among which β- sitosterol had strong binding activity with AKT1, GAPDH and TP53. Conclusion Quercetin, kaempferol, baicalein, β-sitosterol and other core active ingredients in the tincture of making scabs, which could assist in the relief of burns, regulate the signalling pathways such as AGE-RAGE, PI3K-Akt, IL-17, TNF and so on by acting on the targets of AKT1, GAPDH, TP53, IL-6 and so on. This study laid a theoretical foundation for clarifying the mechanism of action of tincture of scab making for the treatment of burn-like diseases.
