基于网络药理学与分子对接探究六妙方治疗脱发的活性成分及靶点验证OA

[Objective]To investigate the active components and therapeutic targets of Liumiao Formula(LMF)against alopecia with network pharmacology and molecular docking,and to verify through in vivo experiments.[Methods]The active components and their targets were retrieved from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP);alopecia-related genes were collected from GeneCards,DrugBank and Online Mendelian Inheritance in Man(OMIM)database.Overlapping targets were used to construct protein-protein interaction(PPI)to screen core compounds and targets.Gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomics(KEGG)pathway enrichment analysis were performed by using the DAVID database.Molecular docking was carried out with AutoDock Vina software.A C57BL/6 mice alopecia model was established,and the hair regenerative effects of LMF as well as the expression of key targets were evaluated by HE staining and Real-time qPCR.[Results]A total of 86 active components and 91 intersection targets were obtained.The active compounds were quercetin,resveratrol and kaempferol,presenting good binding activities with key targets including serine/threonine-protein kinase 1(AKT1),IL-6 and TNF-α,with binding energies less than-20.9 kJ·mol-1.KEGG analysis indicated significant enrichment of the phosphatidylinositol 3-kinase/serine/threonine protein kinase(PI3K/AKT)signaling pathway.In vivo experiments demonstrated that LMF markedly promoted hair regeneration and follicular repair in alopecia model mice,while ameliorating skin tissue lesions.Compared with model group,LMF upregulated the mRNA expression of AKT1 in skin tissue(P<0.05),and decreased serum levels of TNF-α and IL-6(P<0.01,P<0.001).[Conclusion]LMF exhibits characteristics of"multi-component,multi-target and multi-pathway"synergistic effects.Its active components,including quercetin,resveratrol and kaempferol,exert anti-alopecia and hair growth-promoting effects by targeting AKT1,IL-6 and TNF-α.