基于系统中药学的丹参活血化瘀功效标志物研究  

Study on efficacy markers of Salviae Miltiorrhizae Radix et Rhizoma for promoting blood circulation and remving blood stasis based on systematic traditional Chinese medicine

作　　者：马婧 陈茜[1] 边亚倩 陈紫军 乔延江[1] 张燕玲[1] MA Jing;CHEN Xi;BIAN Ya-qian;CHEN Zi-jun;QIAO Yan-jiang;ZHANG Yan-ling(State Administration of Traditional Chinese Medicine,Research Center of Traditional Chinese Medicine-Information Engineering,Key Technology of Traditional Chinese Medicine Pharmacy and New Drug Development Engineering Research Center of Ministry of Education,School of Chinese Materia Medica,Beijing University of Chinese Medicine,Beijing 102488,China)

机构地区：[1]北京中医药大学中药学院国家中医药管理局中药信息工程重点实验室中药制药与新药开发关键技术教育部工程研究中心,北京102488

出　　处：《中国中药杂志》2020年第14期3259-3265,共7页China Journal of Chinese Materia Medica

基　　金：国家自然科学基金项目(81573831,81430094)。

摘　　要：活血化瘀中药在临床上应用广泛,然而由于中药成分的多样性与人体相互作用的复杂性,难以应用传统质控成分表征其整体功效。系统中药学是研究中药功效的有效手段,体现了整体论与还原论的辨证统一。丹参为活血化瘀的常用中药,该研究基于系统中药学的理论,构建了"功效-药理药效-靶点-成分"多维网络,探讨了丹参活血化瘀功效标志物的发现。首先,对活血化瘀功效系统进行研究,基于中药功效-药理数据库获得了活血化瘀功效(功能)相关性最大的药理药效(边界),然后应用DrugBank数据库获得相应药理作用的药物靶标集(结构),运用STRING数据库构建活血化瘀相关靶标的蛋白-蛋白互作网络(关系),通过评价靶点拓扑参数筛选网络中的关键靶点(元素)。最后基于分子对接进行丹参酚酸类及丹参酮类成分辨识,预测丹参活血化瘀功效标志物。该研究结果表明丹参活血化瘀功效的潜在标志物为丹酚酸B、丹酚酸A、丹参酮Ⅱ_A、丹参酮Ⅰ,其中,丹酚酸B、丹酚酸A、丹参酮Ⅱ_A已有文献报道其具有活血化瘀功效相关的抗血小板聚集、抗血栓、保护心脑血管等药理药效。该研究基于系统中药学,初步探讨了丹参活血化瘀功效标志物,为功效标志物的发现提供了研究方法,为中药整体质量控制提供了参考。Traditional Chinese medicine for promoting blood circulation and removing blood stasis has been widely used in clinical practice.However,due to the diversity of the composition of traditional Chinese medicine and the complexity of its interaction with human body,it is difficult to apply traditional quality control ingredients to characterize its overall efficacy.Systematic traditional Chinese medicine is an effective method for studying the efficacy of traditional Chinese medicine,embodying the dialectical unity of holism and reductionism.Salviae Miltiorrhizae Radix et Rhizoma is a common traditional Chinese medicine for promoting blood circulation and removing blood stasis.In this study,we constructed a multi-dimensional network of"efficacy-pharmacological efficacy-targets-components"based on systematic traditional Chinese medicine,and discussed the discovery of the efficacy markers of Salviae Miltiorrhizae Radix et Rhizoma for promoting blood circulation and removing blood stasis.Firstly,based on the Chinese medicine efficacy-pharmacology database,the most relevant pharmacological actions(boundary)for promoting blood circulation and removing blood stasis(function)were obtained,and the target sets(structure)of the corresponding pharmacological action were obtained by the DrugBank database.Then,STRING database was used to construct protein-protein interaction network(relationship)of targets related to promoting blood circulation and removing stasis,and key targets(elements)in the network were selected by evaluating topological parameters of targets.Finally,the potential efficacy markers of Salviae Miltiorrhizae Radix et Rhizoma were predicted by molecular docking based on the key targets of promoting blood circulation and removing blood stasis.The results demonstrated that salvianolic acid B,salvianolic acid A,tanshinoneⅡ_A and tanshinoneⅠwere the potential markers of Salviae Miltiorrhizae Radix et Rhizoma on promoting blood circulation and removing blood stasis.Salvianolic acid B,salvianolic acid A,tanshinon

关 键 词：系统中药学 功效标志物 活血化瘀 丹参 

分 类 号：R284.1[医药卫生—中药学]