龙生蛭胶囊中“桃仁-红花-川芎”药组治疗脑卒中网络药理学研究  

Network Pharmacology of ″Persicae Semen-Carthami Flos-Chuanxiong Rhizoma″ Drug Group in Longshengzhi Capsules in the Treatment of Stroke

作　　者：许海燕[1] 王珊[1] 彭修娟[1] 陈衍斌 侯敏娜[1] 刘艳红[1] 逯莉[1] 刘峰[1,2] XU Haiyan;WANG Shan;PENG Xiujuan;CHEN Yanbin;HOU Minna;LIU Yanhong;LU Li;LIU Feng(Shaanxi Institute of International Trade&Commerce,Xianyang,Shaanxi,China 712046;Shaanxi Buchang Pharmaceutical Co.,Ltd.,Xi′an,Shaanxi,China 710075)

机构地区：[1]陕西国际商贸学院,陕西咸阳712046 [2]陕西步长制药有限公司,陕西西安710075

出　　处：《中国药业》2022年第3期36-41,共6页China Pharmaceuticals

基　　金：陕西省中医药管理局科研课题[2019-ZZ-ZY001];陕西省咸阳市重大科技专项计划项目[2018k01-47];陕西省教育厅专项科研计划项目[20JK0514];陕西省教育厅2021年度重点科研计划项目[21JY001]。

摘　　要：目的预测龙生蛭胶囊中"桃仁-红花-川芎"药组治疗脑卒中的药效物质基础及作用机制。方法利用中医药整合药理学研究平台V2.0(TCMIP V2.0),将"桃仁-红花-川芎"药组化学信息进行靶标预测,构建与脑卒中相关疾病靶标信息的蛋白互作网络(PPI),采用通路富集分析药组干预疾病的关键靶标,并构建"桃仁-红花-川芎"药组活性成分、关键核心靶标和疾病相关通路的PPI,绘制"中药-活性成分-关键核心靶标-通路"网络图,分析与核心靶标相关的主要成分,并采用分子对接技术对活性成分进行虚拟筛选。结果共预测到活性成分19个,核心网络靶标62个,其中药物靶标27个,疾病靶标35个,疾病与药物共有靶标2个(NR3C1,APP);其药效物质基础主要为生物碱类、挥发油类、黄酮类、有机酸类等成分";桃仁-红花-川芎"药组主要活性物质与细胞外信号调节蛋白激酶2(ERK2)、Janus激酶2(JNK2)形成较好的对接模式与较高的亲和力,具有治疗脑卒中的活性。结论龙生蛭胶囊中"桃仁-红花-川芎"药组通过多成分、多靶点、多通路的形式发挥脑卒中治疗作用,其作用机制可能与调控ERK2和JNK2等核心靶标有关。Objective To predict the pharmacodynamic material basis and mechanism of " Persicae Semen-Carthami FlosChuanxiong Rhizoma" drug group in Longshengzhi Capsules in the treatment of stroke.Methods Through the Integrative Pharmacology-Based Research Platform of Traditional Chinese Medicine V2.0(TCMIP V2.0),the target of chemical information of "Persicae Semen-Carthami Flos-Chuanxiong Rhizoma" drug group was predicted to construct the protein-protein interaction(PPI) network of target information of stroke-related diseases.Pathway enrichment was used to analyze the key targets of the drug group for disease intervention,and the PPI of the active ingredients,key targets and disease-related pathways of the "Persicae Semen-Carthami Flos-Chuanxiong Rhizoma" drug group were constructed,the interaction network of "traditional Chinese medicineactive ingredients-key targets-pathways" was drawn,the main ingredients related to the key targets were analyzed,and the virtual screening of active ingredients was conducted by the Molecular docking technology.Results A total of 19 active ingredients and62 key network targets were predicted,including 27 drug targets,35 disease targets and two common targets of disease and drug(NR3 C1,APP).The pharmacodynamic material basis of active ingredients were mainly alkaloids,volatile oils,flavonoids,organic acids and so on.The main active ingredients of "Persicae Semen-Carthami Flos-Chuanxiong Rhizoma" drug group form a better docking mode and high affinity with extracellular signal-regulated protein kinase 2(ERK2) and Janus kinase 2(JNK2),which had good a activity of treating stroke.Conclusion The "Persicae Semen-Carthami Flos-Chuanxiong Rhizoma" drug group in Longshengzhi Capsules plays a role in the treatment of stroke in the form of multi-component,multi-target and multi-channel,and its mechanism may be related to the regulation of key targets such as ERK2 and JNK2.

关 键 词：龙生蛭胶囊 “桃仁-红花-川芎”药组 脑卒中 细胞外信号调节蛋白激酶2 JANUS激酶2 网络药理学 作用机制 

分 类 号：R932[医药卫生—生药学] R285.5[医药卫生—药学]