Exploring the mechanism of MP gel against skin photoaging based on network pharmacology, molecular docking, and experimental validation

Abstract

Objective Long‐term and high exposure to UV radiation can lead to the development of skin photoaging diseases. Therefore, there is an ongoing need for more natural and safe drugs to prevent or treat skin photoaging diseases. Methods The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform database were used to collect the active compounds and corresponding targets of Cnidii Fructus, Arnebiae Radix, Angelicae Sinensis Radix, Poria, and Borneolum. The GeneCards database and the NCBI Gene database were used to collect the targets of skin photoaging diseases. The STRING database was used to construct a protein–protein interaction network formed by the intersecting targets of drugs and diseases. The Metascape database was applied for Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis of the targets. Molecular docking between active compounds and targets was verified by Autodock. After that, the skin photoaging model of mice was established and treated with MP gel. The skin characterization on the back of mice was observed, and the ameliorative effect of MP gel on skin photoaging was evaluated by histological and epidermal thickness assays. The MDA content and SOD activity were measured. Caspase‐3 expression in mouse skin tissues was detected by immunohistochemistry, quantitative real‐time polymerase chain reaction assay, and Western blot. Results The results of network pharmacology experiments showed that the natural drugs have multi‐component, multi‐target therapeutic disease characteristics. The results of animal studies showed that MP gel improved the health of photoaged skin, promoted skin structural integrity, had antioxidant properties and significantly inhibited caspase‐3 expression. Conclusion The experimental validation of the results of the preliminary network pharmacology analysis was carried out in animal experiments, which confirmed part of the mechanism of action of MP gel in the prevention and treatment of skin photoaging.

Research on the resistance of isoviolanthin to hydrogen peroxide-triggered injury of skin keratinocytes based on Transcriptome sequencing and molecular docking

“…Then PyMOL 2.5 and LigPlot + (version 2.2.8) were used for molecular docking result processing and visual analysis. [27] If the binding energy is less than −5 kcal/mol, [28,29] it is considered that the docking result between ligand and receptor protein is stable and acceptable.…”