基于数据驱动分析的抗病毒中药分布规律  

Distribution rules of antiviral traditional Chinese medicine based on data driven analysis

作　　者：魏雅雯 李谨彤 任夏 付先军 WEI Ya-wen;LI Jin-tong;REN Xia;FU Xian-jun(Research Center of Marine Traditional Chinese Medicine,Qingdao College of Traditional Chinese Medicine,Shandong University of Traditional Chinese Medicine,Qingdao 266000,China;College of Pharmacy,Shandong University of Traditional Chinese Medicine,Jinan 250355,China;Institute for Traditional Chinese Medicine Literature and Culture,Shandong University of Traditional Chinese Medicine,Jinan 250355,China;Shandong Research Center of Engineering and Technology for Omics of TCM,Jinan 250355,China;Key Laboratory of Classical Theory of Traditional Chinese Medicine,Ministry of Education,Shandong University of Traditional Chinese Medicine,Jinan 250355,China)

机构地区：[1]山东中医药大学青岛中医药科学院海洋中药研究中心,山东青岛266000 [2]山东中医药大学药学院,山东济南250355 [3]山东中医药大学中医文献与文化研究院,山东济南250355 [4]山东省中医药组学工程技术研究中心,山东济南250355 [5]山东中医药大学中医药经典理论教育部重点实验室,山东济南250355

出　　处：《中草药》2021年第16期4959-4972,共14页Chinese Traditional and Herbal Drugs

基　　金：国家重点研发计划项目“丹参核心功效与生物学机制研究”(2017YFC1702703);国家自然基金项目“基于‘性-构’关系的中药成分寒热药性评价”(81473369);国家自然科学基金项目“海洋中药复方簕草石方保肝药效物质基础及作用机制研究”(41806191);山东省重点研发计划项目“基于知识云的中医经方信息服务和精准化靶向虚拟筛选研究”(2016CYJS08A01-1)。

摘　　要：目的挖掘抗病毒中药分布规律,为中药抗病毒活性筛选和当前疫情防控候选方药筛选提供依据。方法以《抗病毒中草药的研究与应用》以及中国知网(CNKI)、Web of Science中的抗病毒中药文献为信息来源,对相关信息进行标准化处理,通过频数分析、共现分析及系统发育树构建方法挖掘具有抗病毒作用的中药药性、科属、有效成分及活性分布规律。结果共筛选出511味抗病毒中药,包含了新型冠状病毒肺炎(coronavirus disease 2019,COVID-19)"三药三方"所涉及的48味中药中的41味。它们多具有性寒、味苦,归肺经、肝经等药性,其中板蓝根、黄芩、金银花等最常见;涉及冠状病毒科数据135条,高频中药为柴胡、甘草、板蓝根等,且发现2003年非典时期研究最多的中药为板蓝根、苦豆子,而2020年COVID-19疫情时期,对桑白皮的研究占据首位;抗病毒中药的有效成分以多糖类、黄酮类为主;具有抗病毒作用的中药共涉及564个基原物种,在系统发育树上具有明显的聚集性,主要分布在种子植物门的菊分支和蔷薇分支,其中菊科、唇形科、豆科、蔷薇科等的抗病毒中药最多。结论抗病毒中药以味苦、性寒,归肺经、肝经为主,来源菊科、唇形科、豆科等科属中药更有可能具有抗病毒作用,其有效组分多为黄芪多糖、板蓝根多糖、槲皮素、咖啡酸、熊果酸等多糖类或黄酮类成分,而且这些规律与抗COVID-19疫情中推广使用的"三药三方"基本一致,这为抗病毒中药活性筛选,尤其为当前COVID-19疫情防控候选中药的筛选提供了参考依据。Objective To mine the distribution rules of antiviral traditional Chinese medicine(TCM),in order to provide the basis for the screening of antiviral activity of TCM and candidate prescriptions for current epidemic prevention and control.Methods Taking the Research and Application of Antiviral Chinese Herbal Medicine and the literature reports of antiviral TCM in CNKI and Web of science as information sources,the relevant information was standardized,and the distribution rules of medicinal properties,families and genera,active ingredients and activity of antiviral TCM were mined by frequency analysis,co-occurrence analysis and phylogenetic tree construction methods.Results A total of 511 antiviral TCM were screened,containing 41 of the 48 herbs involved in the"three medicines and three prescriptions"of coronavirus disease 2019(COVID-19).Mostly with medicinal properties such as cold nature,bitter taste,return to the lung and liver meridian,among which Bailangen(Isatidis Radix),Huangqin(Scutellariae Radix),and Jinyinhua(Lonicerae Japonicae Flos)were the most common.The data of coronaviridae was 135,and the high-frequency TCM were Chaihu(Bupleuri Radix),Gancao(Glycyrrhizae Radix et Rhizoma),and Isatidis Radix.Meanwhile,it was found that Isatidis Radix and Kudouzi(the seed of Sophora alopecuroides)were the most studied TCM during the SARS period in 2003,while in 2020,the research on Sangbaipi(Mori Cortex)was the first when COVID-19 was sudden.The effective ingredients of antiviral TCM were mostly polysaccharides and flavonoids.TCM with antiviral effects involved a total of 564 base source species,which had significant clustering on phylogenetic trees and were mainly distributed in the chrysanthemum and rose branches of the seed plant phylum,with Asteraceae,Labiatae,Leguminosae,and Rosaceae having the most antiviral TCM.Conclusion These results suggested that the attributes of TCM with antiviral effects are mainly bitter,cold,lung and liver meridian.TCM origin from Asteraceae,Labiatae,and Leguminosae are more likely to

关 键 词：中药 抗病毒 数据挖掘 系统发育树 新型冠状病毒肺炎 严重急性呼吸综合征冠状病毒2 三药三方 

分 类 号：R285[医药卫生—中药学]