[1]王相安 王慧铭.基于网络药理学及分子对接探讨三味药食两用中药治疗单纯性肥胖的机制[J].大众科技,2023,25(9):59-64.
　Discussion on the Mechanism of Three Medicinal and Edible Traditional Chinese Herbs in Treating Simple Obesity Based on Network Pharmacology and Molecular Docking[J].Popular Science & Technology,2023,25(9):59-64.
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基于网络药理学及分子对接探讨三味药食两用中药治疗单纯性肥胖的机制()
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《大众科技》[ISSN:1008-1151/CN:45-1235/N]

卷:
25
期数:
2023年9
页码:
59-64
栏目:
医药与卫生
出版日期:
2023-09-20

文章信息/Info

Title:
Discussion on the Mechanism of Three Medicinal and Edible Traditional Chinese Herbs in Treating Simple Obesity Based on Network Pharmacology and Molecular Docking
作者:
王相安1 王慧铭2
（1.浙江大学医学院附属第一医院，浙江 杭州 310003；2.浙江中医药大学药学院，浙江 杭州 310053）
关键词:
药食两用; 单纯性肥胖; 网络药理学; 分子对接
Keywords:
medicinal and edible herbs;  simple obesity;  network pharmacology;  molecular docking
文献标志码:
A
摘要:
目的：基于网络药理学和分子对接方法，探讨山楂、荷叶、决明子的有效成分治疗单纯性肥胖的作用机制。方法：从TCMSP中获取决明子及荷叶的活性成分，利用TCMID及ETCM并结合相关文献获取山楂果肉的活性成分，最后通过TCMSP获取上述活性成分对应的靶点。通过GeneCards、OMIM数据库收集单纯性肥胖靶点，同时，利用Venny 2.1.0获取“药物－疾病”交集靶点，通过STRING平台构建PPI网络图，并用CytoNCA插件筛选出关键靶点。利用Metascape数据库进行GO功能和KEGG通路富集分析。最后，利用AutoDock Vina 1.1.2对关键靶点和成分进行分子对接。结果：通过筛选共获得38种活性成分，180个“药物－疾病”交集靶点，PPI网络图筛选出9个核心靶点；GO分析获得2 338个条目，KEGG分析得到204条信号通路；分子对接结果显示关键靶点与核心活性成分具有较好的结合活性。结论：山楂、荷叶、决明子通过多成分、多靶点、多通路治疗单纯性肥胖。
Abstract:
Objective: Based on network pharmacology and molecular docking method, to explore the mechanism of of active ingredient of hawthorn, lotus leaf and cassia seed in the treatment of simple obesity. Methods: The active ingredients of cassia seed and lotus leaf were obtained from TCMSP, and the active ingredients of hawthorn flesh were obtained using TCMID and ETCM combined with relevant literature. Finally, the corresponding targets of the active ingredients were obtained through TCMSP. Simple obesity targets were collected through GeneCards and OMIM databases. At the same time, Venny 2.1.0 was used to obtain "drug-disease" intersection targets. PPI network map was constructed through STRING platform, and key targets were screened by CytoNCA plug-in. GO function and KEGG path enrichment were analyzed using Metascape database. Finally, AutoDock Vina 1.1.2 was used for molecular docking of key targets and components. Results: A total of 38 active ingredients were obtained through screening, 180 "drug-disease" intersection targets were identified, and 9 core targets were identified through PPI network diagram screening; GO analysis obtained 2338 entries, and KEGG analysis obtained 204 signaling pathways; the results of macromolecular docking showed that the key targets had good binding activity with the core active components. Conclusion: Hawthorn, lotus leaf and cassia seed are used to treat simple obesity through multiple components, targets, and pathways.

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备注/Memo

备注/Memo:
【收稿日期】2022-09-26【基金项目】浙江省医学会临床科研基金项目（2018ZYC-A15）。【作者简介】王相安（1991－），女，浙江杭州人，浙江大学医学院附属第一医院初级营养师，硕士，研究方向为中医药防治营养代谢相关性疾病。【通信作者】王慧铭（1963－），男，浙江杭州人，浙江中医药大学药学院教授，硕士，研究方向为中药药理。
更新日期/Last Update: 2023-10-07