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基于整合数据挖掘和网络药理学方法探讨藿香饮治疗肠易激综合征的协同药理学机制。

Exploring the synergistic pharmacological mechanism of Huoxiang Drink against irritable bowel syndrome by integrated data mining and network pharmacology.

机构信息

Department of ICU, The First Affiliated Hospital, Heilongjiang University of Chinese Medicine, Harbin, China.

Department of Pharmacology, School of Pharmaceutical Science, Guangzhou University of Chinese Medicine, Guangzhou, China.

出版信息

Medicine (Baltimore). 2023 Sep 29;102(39):e35220. doi: 10.1097/MD.0000000000035220.

Abstract

Irritable bowel syndrome (IBS) is the most common functional gastrointestinal disorder, characterized by abdominal pain, bloating, and changes in bowel habits. Huoxiang Drink (HD), derived from traditional Chinese medicine, has been reported to effectively treat digestive disorders caused by external cold and internal dampness. However, the pharmaceutical targets and mechanisms for HD against IBS remain unclear. Data mining, bioinformatics analysis, and network pharmacology were employed to explore the potential pharmacological mechanisms of HD against IBS. In this study, we screened 50 core targets to investigate the pharmacological mechanisms of HD against IBS. Enrichment analysis revealed that HD may participate in various signaling pathways, especially the inflammation-related tumor necrosis factor, signaling pathway and hypoxia-inducible factor signaling pathway. Molecular docking results confirmed that MOL000098 (Quercetin), MOL000006 (Luteolin), MOL005828 (Nobiletin), MOL005916 (Irisolidone), and MOL004328 (Naringenin), as key active ingredients in HD, bound to core targets (tumor protein P53, tumor necrosis factor, matrix metalloproteinases 9, and vascular endothelial growth factor-A) for topical treatment of IBS. This study suggested that HD offered a potential therapeutic strategy against IBS. Our findings may facilitate the efficient screening of active ingredients in HD and provide a theoretical basis for further validating the clinical therapeutic effects of HD on treating IBS.

摘要

肠易激综合征(IBS)是最常见的功能性胃肠道疾病,其特征为腹痛、腹胀和排便习惯改变。藿香饮(HD)来源于中药,据报道可有效治疗由外寒内湿引起的消化紊乱。然而,HD 治疗 IBS 的药物靶点和机制尚不清楚。本研究采用数据挖掘、生物信息学分析和网络药理学方法,探讨 HD 治疗 IBS 的潜在药理机制。我们筛选了 50 个核心靶点,以研究 HD 治疗 IBS 的药理机制。富集分析表明,HD 可能参与多种信号通路,特别是与炎症相关的肿瘤坏死因子信号通路和缺氧诱导因子信号通路。分子对接结果证实,HD 中的关键活性成分,如 MOL000098(槲皮素)、MOL000006(木犀草素)、MOL005828(诺必林)、MOL005916(鸢尾苷)和 MOL004328(柚皮苷),与核心靶点(肿瘤蛋白 P53、肿瘤坏死因子、基质金属蛋白酶 9 和血管内皮生长因子-A)结合,可作为治疗 IBS 的局部治疗药物。本研究提示 HD 为治疗 IBS 提供了一种潜在的治疗策略。我们的发现可能有助于高效筛选 HD 中的活性成分,并为进一步验证 HD 治疗 IBS 的临床疗效提供理论依据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d22/10545357/d0cf4e00e181/medi-102-e35220-g001.jpg

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