目的 基于数据挖掘,分析以黄芪为核心的方剂治疗气虚血瘀型卒中的用药规律,运用网络药理学探讨含黄芪核心药物组治疗该病的作用机制.方法 以中国学术期刊全文数据库、万方数据知识服务平台、维普生物医学数据库、中国生物医学文献数据库、PubMed、Web of Science等中英文数据库收录的相关文献为数据来源,使用Microsoft Excel 2019建立数据库,基于Apriori算法进行关联规则分析,将满足支持度≥0.55、置信度≥0.9药对作为黄芪核心药物组,通过网络药理学探究黄芪核心药物组治疗该病症的作用机制并借助分子对接加以验证.结果 最终纳入86首目标方剂,涉及138味中药,累计使用频次908次,关联规则分析结果表明黄芪与川芎、当归、地龙、红花、赤芍具有强关联性,以这6味中药组成的核心药物组共含有89种成分和165个潜在靶点,其中107个潜在靶点分布在神经系统,关键靶点包含丝氨酸/苏氨酸激酶1(AKT1)、血清白蛋白(ALB)、肿瘤坏死因子(TNF)、白细胞介素-6(IL6)、白细胞介素-1β(IL1B)等.基因本体(GO)功能分析主要涉及调节能量代谢、炎症应答、细胞凋亡等生物过程;京都基因与基因组百科全书(KEGG)通路富集分析中磷脂酰肌醇3-激酶-蛋白激酶(PI3K-Akt)、MAPK、IL-17、TNF等通路与核心药物组治疗气虚血瘀型卒中密切相关.分子对接结果显示豆甾醇、β-谷甾醇、槲皮素及汉黄芩素与关键靶蛋白具有较高的结合活性.结论 该研究归纳总结了含黄芪方剂治疗气虚血瘀型卒中的用药配伍规律,得到1个黄芪核心药物组,并且在分子水平揭示了黄芪核心药物组治疗该病症的机制,为后续含黄芪方剂治疗该病症的开发提供了数据支撑.
Dosing regularity and mechanism of prescriptions containing Astragali Radix in treatment of apoplexy with syndrome of qi deficiency and blood stasis based on data mining and network pharmacology
Objective Based on data mining,the dosing regularity of Astragali Radix as the core treatment for apoplexy with syndrome of qi deficiency and blood stasis was analyzed,and the network pharmacology was used to elucidate the mechanism of the core drug group containing Astragali Radix in the treatment of this disease.Methods Relevant literature collected by CNKI,Wanfang,VIP,CBM,PubMed and Web of Science were used as data sources,and the database was established by Microsoft Excel 2019.Based on Apriori algorithm for association rule,the drug pair that satisfied support ≥ 0.55 and confidence≥0.9 as the core drug group containing Astragali Radix.The mechanism of the Astragali Radix core drug group for the treatment of this disease was investigated through network pharmacology and validated with molecular docking.Results The results showed that a total of 86 target formulas involving 138 TCMs were screened,with a cumulative frequency of 908 uses.The analysis of association rules showed that Astragali Radix was strongly associated with Chuanxiong Rhizoma,Angelicae Sinensis Radix,Pheretima,Carthami Flos,and Paeoniae Radix Rubra,and the core drug group with these six herbs contained 89 ingredients and 165 potential targets,of which 107 potential targets were distributed in the nervous system,and the key targets contained serine/threonine kinase 1(AKT1),serum albumin(ALB),tumor necrosis factor(TNF),leukocyte interleukin-6(IL6),interleukin-1β(IL1B),etc.GO functional analysis mainly involved the regulation of biological processes such as energy metabolism,inflammatory response,and apoptosis.Phosphatidylinositol 3-kinase-protein kinase(PI3K-Akt),MAPK,IL-17,and TNF pathways in KEGG enrichment analysis were closely related to the treatment of apoplexy with syndrome of qi deficiency and blood stasis.Molecular docking results showed that stigmasterol,β-sitosterol,quercetin and wogonin had high docking activities with key target proteins.Conclusions This study summarized the dosing regularity of prescriptions containing Astragali Radix in the treatment of apoplexy with syndrome of qi deficiency and blood stasis,and revealed the mechanism of the core drug group containing Astragali Radix in the treatment of this disease at the molecular level,which provides data support for the subsequent development of prescriptions containing Astragali Radix in the treatment of this disease.
Astragali Radixapoplexy with syndrome of qi deficiency and blood stasisdata miningnetwork pharmacologymolecular dockingChuanxiong RhizomaAngelicae Sinensis RadixPheretimaCarthami FlosPaeoniae Radix Rubra
NETL
NSTL
万方数据
