基于隐结构和网络药理学探讨泛血管疾病用药证型及作用机制
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R285

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中国中医科学院中医基础理论研究所合作单位个人项目(YZ-202129);国家自然科学基金(81860845)


To explore the Drug Syndrome Types and Mechanism of Perivascular Disease Based on Hidden Structure and Network Pharmacology
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    摘要:

    通过计算机技术探讨中医药治疗泛血管疾病的用药证型及可行性,为临床治疗及新药研发提供客观参考依据。检索《中华人民共和国药典》2020版治疗血管类疾病的中成药,进行数据分析;运用Lantern 5.0,进行隐结构分析,对所得Z5组药物进行网络药理学预测及分子对接验证。得到相关中成药79个,涉及中药156味,其中高频中药有丹参、川芎、三七等,功效以补虚药、活血化瘀药为主,以温性药最多,药味以甘、苦为主,入肝、心经;通过隐结构分析推测出常见证候有气虚血瘀、痰瘀阻络、阴阳两虚、阴虚血瘀、气滞血瘀5种。可见泛血管疾病总体是因虚致病,虚实夹杂,气虚血瘀,临床治疗以活血化瘀为主,随证配合补气行气、温阳滋阴、化痰等治法。通过网络药理学及分子对接发现Z5组药物可能通过主要活性成分槲皮素、黄芩素、山奈酚等,激活流体剪切应力与动脉粥样硬化、AGE-RAGE信号通路在糖尿病并发症中的作用、血脂和动脉粥样硬化等信号通路,作用于TNF、AKT1、PTGS2等靶点,干预炎症、细胞增殖和凋亡、脂质代谢等过程而发挥抗动脉粥样硬化作用,从而治疗泛血管疾病,说明通过计算机技术分析已有数据在探索治疗疾病上有其一定的有效性及可能性。

    Abstract:

    To explore the drug syndrome type and feasibility of TCM in the treatment of panvascular diseases by computer technology, and to provide objective reference for clinical treatment and new drug research and development. Chinese patent medicines for vascular diseases in Pharmacopoeia of the People's Republic of China (2020 edition) were retrieved and the data were analyzed. Implicit structure analysis was performed by Lantern 5.0 to predict the network pharmacology and verify the molecular docking of Z5 group drugs. 79 related patent Chinese medicines were obtained, involving 156 traditional Chinese medicines, among which the high-frequency traditional Chinese medicines were salvia miltiorrhiza, Chuanxiongxiong, notoginseng, etc., with the main effect of tonifying deficiency and promoting blood circulation and removing blood stasis, the most of warm drugs, with the main taste of sweet and bitter, entering the liver and heart channel. Through the analysis of hidden structure, it is inferred that there are 5 kinds of common witness syndromes: Qi deficiency and blood stasis, phlegm stasis blocking collaterals, Yin deficiency and blood stasis. It can be seen that the overall panvascular disease is caused by deficiency, deficiency and insufficiency, qi deficiency and blood stasis. Clinical treatment is mainly to promote blood stasis, with the syndrome with supplementing Qi and qi, warming Yang and nourishing Yin, eliminating phlegm and other treatment methods. Through network pharmacology and molecular docking, it was found that Z5 drugs may activate the role of fluid shear stress and atherosclerosis, AGE-RAGE signaling pathway in diabetic complications, blood lipid and atherosclerosis signaling pathway through the main active ingredients quercetin, baicalein and kaferol, and act on TNF, AKT1, PTGS2 and other targets. It interferes with inflammation, cell proliferation and apoptosis, lipid metabolism and other processes to play an anti-atherosclerosis role, so as to treat panvascular disease, indicating that there is a certain effectiveness and possibility in exploring the treatment of diseases through computer technology analysis of existing data.

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何霄,金学连,康晓娜,等. 基于隐结构和网络药理学探讨泛血管疾病用药证型及作用机制[J]. 科学技术与工程, 2024, 24(18): 7574-7583.
He Xiao, Jin Xuelian, Kang Xiaona, et al. To explore the Drug Syndrome Types and Mechanism of Perivascular Disease Based on Hidden Structure and Network Pharmacology[J]. Science Technology and Engineering,2024,24(18):7574-7583.

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  • 收稿日期:2023-12-23
  • 最后修改日期:2024-04-18
  • 录用日期:2024-02-20
  • 在线发布日期: 2024-07-05
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