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基于网络药理学的根茎类药对抗偏头痛作用机制研究

Network Pharmacology-Based Investigation on Therapeutic Mechanisms of the Radix and Rhizoma Herb Pair for Anti-Migraine Effect.

作者信息

Thanh Chu Duc, Men Chu Van, Kim Hyung Min, Kang Jong Seong

机构信息

College of Pharmacy, Chungnam National University, Daejeon 34114, Korea.

Institute of Biomedicine and Pharmacy, Vietnam Military Medical University, Hanoi 10000, Vietnam.

出版信息

Plants (Basel). 2022 Aug 24;11(17):2196. doi: 10.3390/plants11172196.

Abstract

Migraines are a common neurological disorder characterized by desperate throbbing unilateral headaches and are related to phonophobia, photophobia, nausea, and vomiting. The Radix and Rhizoma herb pair (ALHP) has been used to treat migraines for centuries in traditional Chinese medicine (TCM). However, the physiological mechanisms of migraine treatment have not yet been elucidated. In this study, a total of 50 hub targets related to the effect of 28 bioactive compounds in ALHP on anti-migraine were obtained through network pharmacology analysis. GO and KEGG analyses of the hub targets demonstrated that ALHP treatment of migraines significantly involved the G-protein-coupled receptor signaling pathway, chemical synaptic transmission, inflammatory response, and other biological processes. According to the degree of gene targets in the network, ACE, SLC3A6, NR3CI, MAPK1, PTGS2, PIK3CA, RELA, GRIN1, GRM5, IL1B, and DRD2 were found to be the core gene targets. The docking results showed a high affinity for docked conformations between compounds and predicted targets. The results of this study suggest that ALHP could treat migraines by regulating immunological functions, diminishing inflammation, and improving immunity through different physiological pathways, which contributes to the scientific base for more in-depth research as well as for a more widespread clinical application of ALHP.

摘要

偏头痛是一种常见的神经系统疾病,其特征为单侧头部剧烈搏动性疼痛,并伴有恐声症、畏光症、恶心和呕吐。中药中的细辛-黄连药对(ALHP)在数百年间一直被用于治疗偏头痛。然而,其治疗偏头痛的生理机制尚未阐明。在本研究中,通过网络药理学分析,共获得了50个与ALHP中28种生物活性化合物抗偏头痛作用相关的枢纽靶点。对这些枢纽靶点的基因本体(GO)和京都基因与基因组百科全书(KEGG)分析表明,ALHP治疗偏头痛显著涉及G蛋白偶联受体信号通路、化学突触传递、炎症反应及其他生物学过程。根据网络中基因靶点的程度,发现血管紧张素转换酶(ACE)、溶质载体家族3成员6(SLC3A6)、核受体亚家族3成员C1(NR3C1)、丝裂原活化蛋白激酶1(MAPK1)、前列腺素内过氧化物合酶2(PTGS2)、磷脂酰肌醇-3激酶催化亚基α(PIK3CA)、信号转导和转录激活因子1(RELA)、离子型谷氨酸受体亚基N1(GRIN1)、代谢型谷氨酸受体5(GRM5)、白细胞介素1β(IL1B)和多巴胺受体D2(DRD2)为核心基因靶点。对接结果显示化合物与预测靶点之间的对接构象具有高亲和力。本研究结果表明,ALHP可通过调节免疫功能、减轻炎症和通过不同生理途径提高免疫力来治疗偏头痛,这为更深入的研究以及ALHP更广泛的临床应用提供了科学依据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/34a2/9460128/c4de7d87e4ed/plants-11-02196-g001.jpg

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