Mechanism of Ba Zhen Tang Delaying Skin Photoaging Based on Network Pharmacology and Molecular Docking.
Mechanism of Ba Zhen Tang Delaying Skin Photoaging Based on Network Pharmacology and Molecular Docking.
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DOI：
10.2147/ccid.s344138
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发表时间：
2022
期刊：
影响因子：
--
通讯作者：
Zong SQ
中科院分区：
文献类型：
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作者：
Han M;Li H;Ke D;Tian LM;Hong Y;Zhang C;Tian DZ;Chen L;Zhan LR;Zong SQ
基于网络药理学和分子对接研究八珍汤延缓皮肤光老化的作用及其潜在机制。首先，利用中药数据库与分析平台（TCMSP）和通用蛋白资源（UniProt）对八珍汤的有效成分和靶点进行筛选。从GeneCards和GeneMap数据库中获取皮肤光老化的靶基因。然后，我们利用STRING数据库分析了蛋白质-蛋白质相互作用（PPI）。网络图由Cytoscape构建。最后，利用metscape数据库进行基因本体（GO）富集分析和京都基因与基因组百科全书（KEGG）通路分析。通过Autodock Vina和Pymol进行分子对接。建立皮肤光老化细胞模型，研究八珍汤对皮肤光老化的改善作用。共鉴定出巴震汤中160种有效成分和60种延缓皮肤光老化的靶点。通过GO富集分析，获得了1153个生物过程条目，45个细胞成分条目和89个分子功能条目。KEGG分析共获得155条信号通路。八震汤与糖尿病并发症中的MAPK信号通路、TNF信号通路、AGE-RAGE信号通路等有关，直接影响光老化的关键节点。分子对接结果显示，主要化合物（山奈酚、槲皮素、β-谷甾醇、柚皮素）与核心靶基因（PTGS2、CASP3、MAPK1、MAPK3、TP53）之间存在一定亲和力。八振汤处理的小鼠血清可抑制紫外线b （UVB）照射的人永生化角质细胞（HaCaT）细胞的衰老和p16INK4a的表达。本研究通过多靶点、多途径阐明了八震汤治疗光老化的潜在药理机制。通过细胞模型验证了八振汤对皮肤光老化的治疗作用。
To study the efficacy of Ba Zhen Tang in delaying skin photoaging and its potential mechanism based on network pharmacology and molecular docking. First, we screened the active components and targets of Ba Zhen Tang by Traditional Chinese Medicine Database and Analysis Platform (TCMSP) and The Universal Protein Resource (UniProt). The target genes of skin photoaging were obtained from GeneCards and GeneMap database. Then, we analyzed the protein–protein interaction (PPI) by STRING database. The network map was constructed by Cytoscape. Finally, we performed Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis by Metascape database. The molecular docking via Autodock Vina and Pymol. Furthermore, skin photoaging cellular models were established, and the effects of Ba Zhen Tang on ameliorating skin photoaging were investigated. A total of 160 active ingredients in Ba Zhen Tang and 60 targets of Ba Zhen Tang for delaying skin photoaging were identified. By GO enrichment analysis, 1153 biological process entries, 45 cellular component entries and 89 molecular functional entries were obtained. A total of 155 signal pathways were obtained by KEGG analysis. Ba Zhen Tang is related to MAPK signaling pathway, TNF signaling pathway and AGE-RAGE signaling pathway in diabetic complications, etc., which directly affect the key nodes of photoaging. The molecular docking results showed that there was a certain affinity between the main compounds (kaempferol, quercetin, β-sitosterol, naringenin) and core target genes (PTGS2, CASP3, MAPK1, MAPK3, TP53). Ba Zhen Tang-treated mouse serum inhibited the senescence and p16INK4a expression of human immortalized keratinocyte (HaCaT) cells irradiated by ultraviolet-B (UVB). Our study elucidated the potential pharmacological mechanism of Ba Zhen Tang in the treatment of photoaging through multiple targets and pathways. The therapeutic effects of Ba Zhen Tang on skin photoaging were validated in cellular models.