| 摘要: |
| ［摘要］ 目的 通过网络药理学及分子对接探讨灵芝调控免疫功能的作用机制。方法 通过中药系统药理学数据库和分析平台(TCMSP)检索和筛选灵芝有效成分，使用Swiss Target Prediction数据库预测其潜在作用靶点。从GeneCards、DrugBank、OMIM、PharmGKB、TDD数据库中获取免疫调控相关靶点，整合药物靶点和疾病靶点，取交集靶点。使用Cytoscape软件构建药物-活性成分-作用靶点-疾病网络图，筛选核心成分。利用String平台构建蛋白互作(PPI)网络，筛选核心蛋白。利用R软件进行GO富集分析和KEGG通路分析。通过分子对接技术进行活性成分和核心靶点的分子对接验证。结果 共获取灵芝活性成分43个，作用靶点499个，免疫相关靶点12 454个，药物与疾病的交集靶点483个。KEGG通路分析显示交集基因主要富集于神经活性配体-受体相互作用、cAMP信号通路、蛋白多糖与癌症等信号通路。GO富集分析显示，交集基因主要参与脂质代谢过程的调节、肽基-丝氨酸磷酸化、肽基-丝氨酸修饰等过程。分子对接结果显示，主要核心成分与核心蛋白有较好的结合活性。结论 研究构建的灵芝“成分-靶点-通路-疾病”网络，一定程度上揭示了灵芝多成分、多靶点的复杂作用机制，为灵芝的临床应用和产品开发提供理论基础。 |
| 关键词: 灵芝 免疫 网络药理学 分子对接 作用机制 |
| DOI：10.3969/j.issn.1674-3806.2022.06.10 |
| 分类号:R 285 |
| 基金项目:广西自然科学基金项目（编号：2018GXNSFAA138096） |
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| An exploration on the immune regulation mechanism of Ganoderma lucidum based on network pharmacology and molecular docking |
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QIN Jun-liang, SU Zhi-heng
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Pharmaceutical College, Guangxi Medical University, Nanning 530021, China
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| Abstract: |
| ［Abstract］ Objective To explore the mechanism of Ganoderma lucidum in regulating immunological function based on network pharmacology and molecular docking. Methods The active components of Ganoderma lucidum were retrieved and screened by Traditional Chinese Medicine systems pharmacology database and analysis platform(TCMSP), and the target prediction of the active components was made by Swiss Target Prediction database. The immune-related targets were obtained through GeneCards, DrugBank, OMIM, PharmGKB and TDD databases, and the drug targets and the disease targets were integrated to obtain the intersection targets. Cytoscape software was used to construct the drug-active ingredient-action target-disease network diagram and screen the core components. String platform was used to construct the protein-protein interaction(PPI) network and screen the core proteins. GO enrichment analysis and KEGG pathway analysis were performed by R software. Molecular docking technique were used to verify the molecular docking of the active components and core targets. Results A total of 43 active components, 499 action targets, 12 454 immune-related targets and 483 drug-disease intersection targets in Ganoderma lucidum were retrieved. KEGG pathway analysis showed that the overlapping genes were mainly enriched in neuroactive ligand-receptor interaction, cAMP signaling pathway, proteoglycans and cancer signaling pathways. GO analysis showed that the overlapping genes were mainly involved in the regulation of lipid metabolic process, phosphorylation of peptidyl-serine, modification of peptidyl-serine and so on. The results of molecular docking showed that the main core components and core proteins had good binding activity. Conclusion The “component-target-pathway-disease” network of Ganoderma lucidum constructed by research reveals the complex mechanism of action of Ganoderma lucidum with multiple components and targets to a certain extent, and provides a theoretical basis for the clinical application and product development of Ganoderma lucidum. |
| Key words: Ganoderma lucidum Immunity Network pharmacology Molecular docking Mechanism |
