基于指纹图谱和网络药理学的肾复康Ⅱ号胶囊的药效物质和质量控制研究  

Study on the Pharmacodynamic Substances and Quality Control of Shenfukang II Capsules Based on Fingerprint and Network Pharmacology

作　　者：尹继瑶 胡静 沈霞[1] 崔小敏[2] 任慧[2] 曲彤 李宁 鲁文静[2] 陈志永 屈凯[1,3] YIN Jiyao;HU Jing;SHEN Xia;CUI Xiaomin;REN Hui;QU Tong;LI Ning;LU Wenjin;CHEN Zhiyong;QU Kai(Shaanxi University of Chinese Medicine,Xianyang 712083,China;Shaanxi Academy of Traditional Chinese Medicine,Xi’an 710003,China;Shaanxi Provincial Chinese Medicine Hospital,Xi’an 710003,China)

机构地区：[1]陕西中医药大学,陕西咸阳712083 [2]陕西省中医药研究院,西安710003 [3]陕西省中医医院,西安710003

出　　处：《中国现代应用药学》2023年第13期1765-1774,共10页Chinese Journal of Modern Applied Pharmacy

基　　金：国家自然科学基金项目(81603454);国家中医药管理局中医药科学技术研究专项课题(GZY-KJS-2021-005);全国中医临床特色技术传承骨干人才项目(国中医药人教函〔2019〕171号);陕西中医药大学校级创新项目(2021CX17);陕西省中医药管理局“双链融合”中青年科研创新团队(2022-SLRH-YQ-003)。

摘　　要：目的建立肾复康Ⅱ号胶囊(ShenfukangⅡcapsule,SC-Ⅱ)的指纹图谱,结合化学计量学和网络药理学方法,筛选出质量控制指标性成分。方法建立10批SC-Ⅱ的HPLC指纹图谱,采用《中药色谱指纹图谱相似度评价系统》(2012A版)进行相似度评价后确定共有峰;通过对照品比对,指认共有峰;采用化学计量方法对10批SC-Ⅱ进行质量评价。利用网络药理学筛选SC-Ⅱ的核心作用靶点和通路。结合上述结果,筛选可用于SC-Ⅱ质量控制的指标性成分。结果10批SC-Ⅱ样品的HPLC指纹图谱共标定37个共有峰,相似度均>0.97。指认出莫诺苷、马钱苷、芍药苷等20个色谱峰。化学模式识别方法均将样品分为2类,丹酚酸B、莫诺苷、丹酚酸A、芍药苷等为差异标志物。网络药理学预测丹酚酸B、芍药苷、莫诺苷等活性化合物可能通过45个核心靶点、15条主要通路发挥药效作用。初步筛选莫诺苷、芍药苷和丹酚酸B作为SC-Ⅱ的质量控制指标性成分。结论本研究建立的SC-Ⅱ指纹图谱方法简单、重复性好;筛选的指标性成分将为SC-Ⅱ的质量控制提供依据。OBJECTIVE To establish the fingerprint of ShenfukangⅡcapsule(SC-Ⅱ),and to screen out its indicative compounds for quality control combined with chemometrics methods and network pharmacology.METHODS The HPLC fingerprint of 10 batches of SC-Ⅱwas established,and similarity evaluation was analyzed by Similarity Evaluation System for Chromatographic Fingerprint of TCM(2012 A Edition)to determine common peaks;common peaks were identified through standard comparison.Chemometrics methods was used to evaluate quality of 10 batches of SC-Ⅱ,and network pharmacology was used to screen out core targets and pathways of SC-Ⅱ.Combined with the above results,indicative compounds for quality control of SC-Ⅱwere screened out.RESULTS A total of 37 common peaks were obtained in the HPLC fingerprint,the similarity of samples was greater than 0.97.Twenty compounds were identified as morroniside,loganin,paeoniflorin and et al.The samples were divided into two categories by chemical pattern recognition,salvianolic acid B,morroniside,salvianolic acid A and paeoniflorin were differential marker compounds for SC-Ⅱ.Network pharmacology predicted that active compounds such as salvianolic acid B,paeoniflorin and morroniside might exert pharmacological effects through 45 core targets and 15 main pathways.The research preliminary preliminarily predicted that morroniside,paeoniflorin and salvianolic acid B were quality control index components for SC-II.CONCLUSION The established HPLC fingerprint method is simple and good repeatability.The quality control indicative compounds of SC-Ⅱcan provide a basis for its quality control.

关 键 词：肾复康Ⅱ号胶囊 指纹图谱 指标性成分 网络药理学 莫诺苷 芍药苷 

分 类 号：R284.1[医药卫生—中药学]