首页|基于数据挖掘、网络药理学和分子对接技术的中药治疗高尿酸血症的用药规律及机制分析

基于数据挖掘、网络药理学和分子对接技术的中药治疗高尿酸血症的用药规律及机制分析

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目的 基于数据挖掘和网络药理学技术探寻高尿酸血症的用药规律和新方药物组合并探讨该新方的理论基础和潜在机制。方法 检索建库至 2021 年 12 月中国知网、维普数据库、万方数据库关于中医药治疗高尿酸血症的相关文献。采用中医传承辅助平台对其用药频次、四气五味等进行显性规律分析,通过熵聚类对其进行潜在规律分析,得到符合临床的新方药物组合。在此基础上采用网络药理学和分子对接的方法,通过Cytoscape软件,按照标准依次筛选核心靶点,最后通过DAVID数据库进行GO和KEGG富集分析,研究新方的生物信息通路并分析其作用机制。结果 通过纳入及排除标准对文献进行筛选,最后得到符合标准的文献150 篇,包含方剂160 首,涉及中药196 味。基于系统聚类分析获得新方(黄柏、牛膝、白术、茯苓),诸药合用有清热利湿、活血通络、健脾化浊之功,配伍恰当,直指病机,故选其进行下一步的蛋白质靶点和信号通路预测。对新方药物组合进行分析,得到治疗高尿酸血症的核心靶点 20 个。通过KEGG通路分析,其中P<0。05 的通路共有121 条。分子对接实验发现PTGS2 和MAPK8 可能是槲皮素的潜在靶点,TNF、EGFR、IL6 和SIRT1 可能是豆甾醇的潜在靶点。结论 中药治疗高尿酸血症多以清热利湿、健脾益气、固肾泄浊为主,新方防治高尿酸血症的主要有效成分包括:小檗碱、槲皮素、黄藤素、汉黄芩素、豆甾醇等,作用于PTGS2、IL6、TNF、EGFR和MAPK8 等关键靶点,调控脂质和动脉粥样硬化、IL-17 信号通路、TNF信号通路,从而发挥抗炎、促进脂肪分解、改善胰岛素抵抗、调控细胞周期来起到降尿酸的作用。
Analysis of the medication rule and mechanism of Traditional Chinese medicine in treating hyperuricemia based on data mining and network pharmacology technology
Objective Based on data mining and network pharmacology technology,the medication rule and new prescription drug combination of hyperuricemia were mined,and the theoretical basis and potential mechanism of the new prescription were discussed.Methods The relevant literature on Chinese medicine treatment of hyperuricemia was searched from CNKI,VIP database and Wanfang database from the establishment of the database to December 2021.The traditional Chinese medicine inheritance auxiliary platform was used to analyze the dominant laws of its medication frequency,four qi and five flavors,and the latent laws were analyzed by entropy clustering,and a new prescription drug combination in line with the clinic was obtained.On this basis,the network pharmacology method was adopted to successively screen the core targets through standards.Finally,GO and KEGG enrichment analysis was conducted through DAVID database to study the bioinformatics pathway of the new recipe and analyze its mechanism of action.Results The inclusion and exclusion criteria were used to screen the literature,and finally 150 literatures that met the criteria were obtained,including 160 prescriptions and 196 traditional Chinese medicines.New formulae(Phellodendri Chinrnsis Cortex,Atractylodes Macrocephala Koidz,Achyranthis Bidentatae Radix and Poria Cocos(Schw.)Wolf.)were obtained based on systematic cluster analysis.The combination of these formulae has the functions of clearing heat and dampness,activating blood circulation and clearing collaterals,invigorating spleen and reducing turbidity,and their compatibility is appropriate,pointing to the pathogenesis,so they are selected for the prediction of protein targets and signal pathways in the next step.The new prescription drug group was analyzed,and 20 core targets for the treatment of hyperuricemia were obtained.Through KEGG pathway analysis,there were 121 pathways with P<0.05.Molecular docking experiments showed that PTGS2 and MAPK8 may be potential targets of quercetin,and TNF,EGFR,IL6 and SIRT1 may be potential targets of stigmasterol.Conclusion Traditional Chinese medicine mainly focuses on clearing heat and removing dampness,strengthening spleen and replenishing qi,and strengthening kidney and expelling turbidity in the treatment of hyperuricemia.Wogonin,stigmasterol,etc.,act on key targets such as PTGS2,IL6,TNF,EGFR and MAPK8,regulate lipids and atherosclerosis,IL-17 signaling pathway,and TNF signaling pathway,then play anti-inflammatory,promote lipolysis,improve insulin resistance,regulate cell cycle to play the role of lowering uric acid.

data miningnetwork pharmacologytraditional Chinese medicinehyperuricemiamechanism

霍志萌、王芳、樊一桦、孙思彤、姚雅琦、李遇伯

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天津中医药大学 中药学院,天津 301617

天津中医药大学第一附属医院 风湿免疫科,天津 300193

数据挖掘 网络药理学 中药 高尿酸血症 机制

国家自然科学基金资助项目

82204760

2024

沈阳药科大学学报
沈阳药科大学

沈阳药科大学学报

CSTPCD
影响因子:0.604
ISSN:1006-2858
年,卷(期):2024.41(10)