基于数据挖掘、网络药理学及实验验证探究金陵医派治疗慢性肾衰竭的用药规律及作用机制  

Medication rules and mechanisms of treating chronic renal failure by Jinling medical school based on data mining,network pharmacology,and experimental validation

作　　者：王金龙 吴薇[3] 万毅刚[1,3,4] 房其军 王玉[1,3,4] 李雅静[1,3,4] CHONG Fee-lan[5] 穆森林[1] 黄楚博 黄煌 WANG Jin-long;WU Wei;WAN Yi-gang;FANG Qi-jun;WANG Yu;LI Ya-jing;CHONG Fee-lan;MU Sen-lin;HUANG Chu-bo;HUANG Huang(Department of Traditional Chinese Medicine,Nanjing Drum Tower Hospital,Nanjing University of Chinese Medicine,Nanjing 210008,China;Department of Nephrology,Xuzhou City Hospital of Traditional Chinese Medicine,Xuzhou 221000,China;Department of Traditional Chinese Medicine,Nanjing Drum Tower Hospital,Affiliated Hospital of Medical School,Nanjing University,Nanjing 210008,China;Institute of Chinese Medicine,Nanjing University,Nanjing 210008,China;the School of Pharmacy,Management and Science University,Shah Alam 40100,Malaysia;International Jingfang Institute,Nanjing University of Chinese Medicine,Nanjing 210029,China)

机构地区：[1]南京中医药大学鼓楼临床医学院中医科,江苏南京210008 [2]徐州市中医院肾病科,江苏徐州221000 [3]南京大学医学院附属鼓楼医院中医科,江苏南京210008 [4]南京大学中医研究院,江苏南京210008 [5]the School of Pharmacy,Management and Science University,Shah Alam 40100,Malaysia [6]南京中医药大学国际经方学院,江苏南京210029

出　　处：《中国中药杂志》2025年第6期1637-1649,共13页China Journal of Chinese Materia Medica

基　　金：国家自然科学基金面上项目(82374364);江苏省自然科学基金面上项目(BK20211298);江苏省中医药科技发展计划项目(MS2021037);江苏省中医药领军人才培养项目(SLJ0301);南京中医药大学自然科学基金项目(XZR2021087);南京市中医药青年人才培养计划项目(ZYQ20066);南京市医学科技发展项目(YKK20085);南京市名中医专家工作室建设项目。

摘　　要：基于数据挖掘、网络药理学及实验验证系统而深入地探究金陵医派治疗慢性肾衰竭(chronic renal failure,CRF)的用药规律及作用机制。首先,利用中国知网、万方、维普等数据库,以“中药+慢性肾衰竭”“中药+慢性肾功能不全”“中药+虚劳”为主题词,选取金陵医派传承医家公开发表的中文期刊文献,按照纳入与排除标准筛选临床治疗CRF的中药处方,进行单味中药用药的频次分析,高频中药四气、五味、归经、功效的分析,关联规则分析以及聚类分析,筛选出215首中药处方和235味单味中药;其中,高频中药包括“黄芪、大黄、丹参、茯苓、白术”(前5位)等;“寒性、甘味、归脾经”的单味中药和“补虚类”中药应用频数最高,其次分别是“活血化瘀类”“利水渗湿类”中药;频数最高的核心中药组合[“核心方”(Hexin Formula,HXF)]是“黄芪、大黄、茯苓、丹参、当归”。其次,借助网络药理学分析发现HXF中的活性成分共有91个,对应的潜在靶点共有250个,包括前列腺素内过氧化物合酶2、前列腺素内过氧化物合酶1、电压门控钠离子通道α亚单位5、毒蕈碱型胆碱受体1、热休克蛋白90α家族A成员1(前5个)等。基因本体论功能的富集分析结果显示,核心靶点参与的主要生物进程、细胞组分以及分子功能分别是核糖核酸聚合酶Ⅱ诱导的转录正向调控和脱氧核糖核酸模板转录的正向调控,细胞溶质、分子、质膜的形成以及同种蛋白的结合和酶的结合;京都基因与基因组百科全书通路的富集分析结果显示,CRF相关基因富集在多种信号通路和细胞代谢通路中,主要涉及“磷脂酰肌醇3-激酶(phosphatidylinositol 3-kinase,PI3K)-蛋白激酶B(protein kinase B,Akt)通路”和“晚期糖基化终产物-晚期糖基化终产物受体通路”。分子对接的结果显示,HXF中的活性成分,如黄芪异黄烷苷、白桦脂酸、谷甾醇、紫丹�This study aims to explore the medication rules and mechanisms of treating chronic renal failure(CRF)by Jinling medical school based on data mining,network pharmacology,and experimental validation systematically and deeply.Firstly,the study selected the papers published by the inherited clinicians in Jinling medical school in Chinese journals using the subject headings named"traditional Chinese medicine(TCM)+chronic renal failure","TCM+chronic renal inefficiency",or"TCM+consumptive disease"in China National Knowledge Infrastructure,Wanfang,and VIP Chinese Science and Technology Periodical Database and screened TCM formulas for treating CRF according to inclusion and exclusion criteria.The study analyzed the frequency of use of single TCM and the four properties,five tastes,channel tropism,and efficacy of TCM used with high frequency and performed association rule and clustering analysis,respectively.As a result,a total of 215 TCM formulas and 235 different single TCM were screened,respectively.The TCM used with high frequency included Astragali Radix,Rhei Radix et Rhizoma,Salviae Miltiorrhizae Radix et Rhizoma,Poria,and Atractylodis Macrocephalae Rhizoma(top 5).The single TCM characterized by"cold properties,sweet flavor,and restoring spleen channel"and the TCM with the efficacy of tonifying deficiency had the highest frequency of use,respectively.Then,the TCM with the rules of"blood-activating and stasis-removing"and"diuretic and dampness-penetrating"appeared.In addition,the core combination of TCM[(Hexin Formula,HXF)]included"Astragali Radix,Rhei Radix et Rhizoma,Poria,Salviae Miltiorrhizae Radix,and Angelicae Sinensis Radix".The network pharmacology analysis showed that HXF had 91 active compounds and 250 corresponding protein targets including prostaglandin-endoperoxide synthase 2(PTGS2),PTGS1,sodium voltage-gated channel alpha subunit 5(SCN5A),cholinergic receptor muscarinic 1(CHRM1),and heat shock protein 90 alpha family class A member 1(HSP90AA1)(top 5).Gene Ontology(GO)function analysis revealed that the

关 键 词：金陵医派 慢性肾衰竭 线粒体自噬 数据挖掘 网络药理学 

分 类 号：R285[医药卫生—中药学]