复方一枝蒿抗流感有效成分的网络药理学研究  

Network pharmacology study of the effective constituents in the Compound Yizhihao against influenza disease

作　　者：许律捷 姜雯[2] 庞晓丛 康德[1] 熊婉迪 刘睿[1] 邢建国 刘艾林[1] 杜冠华[1] 

机构地区：[1]中国医学科学院北京协和医学院药物研究所,北京100050 [2]新疆医科大学第六附属医院,新疆乌鲁木齐830002 [3]新疆药物研究所,新疆乌鲁木齐830002

出　　处：《药学学报》2017年第5期745-752,共8页Acta Pharmaceutica Sinica

基　　金：国家自然科学基金资助项目(81673480);北京市自然科学基金资助项目(7152103);新疆维吾尔自治区乌鲁木齐市科学技术局项目(Y151310010)

摘　　要：复方一枝蒿由板蓝根、大青叶、一枝蒿3味中药组成,主要用于治疗感冒发烧,临床疗效明显,但其作用机制尚不明确。本文通过对流感病毒相关靶点和复方一枝蒿化学成分的收集,采用朴素贝叶斯算法,基于分子指纹和分子描述符,建立抗流感多靶点预测平台;利用靶点预测平台,对复方一枝蒿的有效成分及其作用靶点进行预测,并利用网络开发专业软件,构建了化学成分-靶点网络及靶点-通路网络,以揭示复方一枝蒿的多种有效成分抗流感病毒的网络药理机制,为进一步研究复方一枝蒿抗流感的作用机制提供理论依据。Compound Yizhihao, consists of Radix isatidis, Folium isatidis, Artemisia rupestris, has a significant therapeutic effect on the treatment of influenza and fever. However, the mechanism of its action is still unclear. In this investigation, we collected the key target molecule of influenza disease and the chemical constituents of Compound Yizhihao, and developed Naive Bayesian classification models based on the input molecular fingerprints and molecule descriptors. The built models were further applied to construct classifiers for predicting the effective constituents. We used the professional network-building software to build the constituent-target network and target-pathway network, which revealed the network pharmacology of the effective constituents in Compound Yizhihao. It will contribute to the further research of mechanism of Compound Yizhihao.

关 键 词：复方一枝蒿 流感 药物靶点 朴素贝叶斯分类模型 分子指纹 分子描述符 网络药理学 

分 类 号：R969[医药卫生—药理学]