首页|基于网络药理学研究九节茶活性成分对肌肤屏障修复的作用机制

基于网络药理学研究九节茶活性成分对肌肤屏障修复的作用机制

扫码查看
目的 运用网络药理学研究九节茶多成分、多靶点、多通路修复肌肤屏障(skin barrier repair)的作用机制。方法 通过中药系统药理数据库和分析平台(TCMSP)获得九节茶化学成分,以生物利用度(OB)≥30%、类药性(DL)≥0。18为阈值,筛选得到九节茶的有效成分,并利用Swiss Target Prediction网站检索到九节茶各有效成分对应的靶点;在GeneCards数据库输入关键词"skin barrier repair",检索与屏障修复相关的疾病靶点;通过Cytoscape3。7。2软件构建"药物-疾病-靶点"的可视化网络;将九节茶有效成分与屏障修复的交集靶点通过STRING网站构建蛋白质-蛋白质相互作用(PPI)网络,并筛选核心靶点;通过Metascape数据库进行基因本体(GO)生物过程富集和京都基因与基因组百科全书(KEGG)富集分析;通过CB-Dock网站对九节茶主要活性成分与核心靶点进行分子对接验证。结果 检索得到符合标准的九节茶有效成分11个,中药靶点对应的人类基因250个,屏障修复的疾病基因为4 308个,中药靶点对应基因与疾病基因的交集基因190个。对190个交集基因进行基因GO功能分析,包含生物过程、分子功能、细胞组成3个方面,结果发现肌肤屏障修复生物学过程与对激素的反应、白细胞增殖调节、外部刺激反应的正调节、防御反应规则、磷酸化的正调节等方面相关;分子功能与蛋白域特异结合、磷酸酶结合、转录辅激活因子结合、非跨膜蛋白酪氨酸激酶活性、细胞因子受体结合等方面相关;细胞组成与转录调节复合物、薄膜筏、受体复合物、质膜细胞质侧的外源成分、焦点粘连等方面相关。结论 KEGG通路富集分析发现肌肤屏障修复机制可能与癌症的途径、Th17细胞分化、乙型肝炎、破骨细胞分化、化学致癌-受体激活等通路相关。
Study on the Mechanism of Active Ingredients of Sarcandra glabra on Skin Barrier Repair Based on Network Pharmacology
OBJECTIVE Using network pharmacology to study the mechanism of multi component,multi target,and multi pathway repair of skin barrier of Sarcandra glabra.METHODS The chemical components of Sarcandra glabra were obtained through TCMSP,and the active ingredient of Sarcandra glabra were screened with the threshold values of bioavailability(OB)≥ 30%and Druglikeness(DL)≥ 0.18,and the corresponding targets of each Active ingredient of Sarcandra glabra were retrieved using Swiss Target Prediction website.Enter the keyword"skin barrier repair"in the GeneCards database to search for disease targets related to barrier repair.Build a visualization network of"drug disease target"using Cytoscape 3.7.2 software.The intersection targets of active ingredient and barrier repair of Sarcandra glabra were used to construct a protein protein interaction(PPI)network through STRING website,and the core targets were screened.Gene Ontology(GO)biological process enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were carried out through Metascape database.The Macromolecular docking verification of the main active components and core targets of Sarcandra glabra was carried out through the CB Dock website.RESULTS Eleven active ingredient of Sarcandra glabra,250 human genes corresponding to Chinese medicine targets,4 308 disease genes for barrier repair,and 190 intersection genes between Chinese medicine target genes and disease geneswere retrieved.Gene GO functional analysis was conducted on 190 intersecting genes,including biological processes,molecular functions,and cell composition.The results showed that the biological process of skin barrier repair was related to responses to hormones,regulation of white blood cell proliferation,positive regulation of external stimuli,defense response rules,and positive regulation of phosphorylation.Molecular function was related to protein domain specific binding,phosphatase binding,transcription coactivator binding,non Transmembrane protein Tyrosine kinase activity,Cytokine receptor binding,etc.Cell composition was related to transcriptional regulatory complexes,membrane rafts,receptor complexes,exogenous components on the cytoplasmic side of the plasma membrane,focal adhesions,and other aspects.CONCLUSION The KEGG pathway enrichment analysis found that the skin barrier repair mechanism may be related to the cancer pathway,Th17 cell differentiation,hepatitis B,Osteoclast differentiation,chemical carcinogenesis receptor activation and other pathways.

Sarcandra glabrabarrier repairmechanism of actionnetwork pharmacology

龚硕、汤迎湛、江涛、苏锐辉、曾晨、周地、李宁

展开 >

沈阳药科大学中药学院,辽宁省重大慢病中药创新药重点实验室沈阳市中药药效物质研究与创新药开发重点实验室,辽宁沈阳 110016

广州白云山敬修堂药业股份有限公司,广东广州 510130

九节茶 屏障修复 作用机制 网络药理学

2024

今日药学
广东省药学会 中国药学会

今日药学

影响因子:0.413
ISSN:1674-229X
年,卷(期):2024.34(4)
  • 50