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作者中文名	作者英文名	单位中文名	单位英文名	E-Mail
阿如娜	Aruna	内蒙古医科大学蒙医药学院，内蒙古呼和浩特 010110	College of Mongolian Medicine, Inner Mongolia Medical University, Hohhot 010110, China
韩志强	HAN Zhi-Qiang	内蒙古民族大学附属医院，内蒙古通辽 028000	Affiliated Hospital of Inner Mongolia University for Nationalities, Tongliao 028000, China
娜仁朝克图	Narenchaoketu	内蒙古医科大学蒙医药学院，内蒙古呼和浩特 010110	College of Mongolian Medicine, Inner Mongolia Medical University, Hohhot 010110, China
呼和木仁	Huhemuren	内蒙古医科大学蒙医药学院，内蒙古呼和浩特 010110	College of Mongolian Medicine, Inner Mongolia Medical University, Hohhot 010110, China
王布和朝鲁	WANG Buhechaolu	内蒙古医科大学蒙医药学院，内蒙古呼和浩特 010110	College of Mongolian Medicine, Inner Mongolia Medical University, Hohhot 010110, China
乌兰其其格*	Wulanqiqige	内蒙古医科大学蒙医药学院，内蒙古呼和浩特 010110	College of Mongolian Medicine, Inner Mongolia Medical University, Hohhot 010110, China
乌日力嘎	Wuriliga	内蒙古医科大学蒙医药学院，内蒙古呼和浩特 010110	College of Mongolian Medicine, Inner Mongolia Medical University, Hohhot 010110, China
青萨	Qingsa	内蒙古医科大学蒙医药学院，内蒙古呼和浩特 010110	College of Mongolian Medicine, Inner Mongolia Medical University, Hohhot 010110, China

基金项目:内蒙古自治区自然科学基金项目（2021LHMS08055）；内蒙古医科大学百万工程项目（YKD2018KJBW026）；内蒙古医科大学蒙医学“一流学科”青年教师创新能力提升项目（myxylxkky2020-02）；内蒙古医科大学蒙药学“一流学科”研究生科研能力提升计划项目（MYX2023-R04）

中文摘要:目的探讨诃子与草乌配伍“异病同治”类风湿性关节炎（RA）和痛风性关节炎（GA）的作用机制。方法采用数据挖掘技术找出治疗“图赖”病的核心药物组合（诃子-草乌），并使用超高效液相色谱-四极杆飞行时间质谱法（UPLC-QTOF/MS）检测大鼠灌胃诃子与草乌配伍药物后的入血成分；运用PubChem、SwissTargetPrediction、GeneCards、OMIM、DisGeNET、Metascape等多个数据库检索诃子与草乌化学成分对应靶点、RA和GA的疾病靶点，以及代谢通路等信息，利用Cytoscape 3.8.2软件构建成分-靶点-通路-疾病网络，并利用分子对接方法证实诃子与草乌的主要成分与关键靶点之间的高亲合力。结果诃子与草乌入血成分相应靶点与RA靶点交集后得到323个交集靶点、与GA靶点交集后得到24个交集靶点，两者共有靶点24个，主要有肿瘤坏死因子（TNF）、肿瘤蛋白p53（TP53）、基质金属蛋白酶-9（MMP-9）、前列腺素内过氧化物合酶2（PTGS2）和信号转导和转录激活因子3（STAT3），与十八碳四烯酸、绢酸、5-(3-羟基-4-乙酰氧基-1-丁基)-2,2'-联噻吩、灵芝酸H等有紧密联系，涉及通路有TNF信号通路、破骨细胞分化通路、癌症通路等。分子对接结果显示灵芝酸H和TNF、5-(3-羟基-4-乙酰氧基-1-丁基)-2,2'-联噻吩和MMP-9有强烈对接活性。结论蒙古族药诃子与草乌配伍治疗RA和GA具有多靶点效应，可能通过炎症反应的调节、细胞对生物刺激的反应、对细菌源分子的反应、磷酸盐代谢的正调控和对激素的反应等通路发挥“异病同治”作用。

中文关键词:诃子草乌液相色谱-质谱联用技术网络药理学类风湿性关节炎痛风性关节炎异病同治数据挖掘技术

Mechanism of Terminalia chebula and Aconiti Kusnezoffii Radix Compatibility in Treating RA and GA Based on UPLC-QTOF/MS and Network Pharmacology

Abstract:Objective To explore the mechanism of Terminalia chebula and Aconiti Kusnezoffii Radix compatibility in the treatment of rheumatoid arthritis (RA) and gouty arthritis (GA).Methods Data mining technology was used to find out the core drug combination (Terminalia chebula-Aconiti Kusnezoffii Radix) for the treatment of 'Tulai' disease, and ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) was used to detect the components of Terminalia chebula and Aconiti Kusnezoffii Radix compatibility in the blood of rats, and multiple databases such as PubChem, SwissTargetPrediction, GeneCards, OMIM, DisGeNET, and Metascape were used to search the corresponding chemical component targets of Terminalia chebula and Aconiti Kusnezoffii Radix, the disease targets of RA and GA, and the metabolic pathways. Cytoscape 3.8.2 software was used to construct the network of "component-target-pathway-disease", and the high affinity between major components and key targets of Terminalia chebula and Aconiti Kusnezoffii Radix was confirmed by the molecular docking method.Results After the corresponding targets in the blood intersect with RA targets, 323 intersecting targets were obtained, and after they intersect with GA targets, 24 intersecting targets were obtained. There were 24 common targets, including tumor necrosis factor (TNF), cellular tumor antigen p53 (TP53), matrix metalloproteinase-9 (MMP-9), prostaglandin-endoperoxide synthase 2 (PTGS2), and signal transducer and activator of transcription 3 (STAT3), which were closely related to stearidonic acid, sericic acid, 5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2′-bithiophene, and ganoderic acid H, involving pathways such as TNF signaling pathway, osteoclast differentiation, and cancer pathway. The results of molecular docking showed that ganoderic acid H had strong docking activity with TNF, and 5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2′-bithiophene had strong docking activity with MMP9.Conclusion The compatibility of Mongolian Medicine Terminalia chebula and Aconiti Kusnezoffii Radix has a multi-target effect on RA and GA. It may treat different diseases with the same method through the regulation of inflammatory response, cellular response to biotic stimulus, response to molecule of bacterial origin, positive regulation of phosphate metabolism, and response to hormones.

keywords:Terminalia chebula Retz. Aconiti Kusnezoffii Radix UPLC-QTOF/MS technique network pharmacology rheumatoid arthritis gouty arthritis same treatment to different diseases data mining technology

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