【摘要】 目的运用化学信息学和系统生物学技术对银屑灵5种主要化学成分(绿原酸、芍药苷、异秦皮啶、阿魏酸、落新妇苷)的生理活性进行预测。方法采用GeneGo公司Metadrug软件研究银屑灵主要化学成分的靶标与可能的分子作用机制。结果绿原酸、芍药苷、阿魏酸和落新妇苷的预测靶标与银屑病的发病机制没有直接关系;异秦皮啶的预测靶标环氧合酶-2(Cyclooxygenae-2,COX-2)和5-脂加氧酶(Lipoxygenase,5-LOX)是炎症反应的关键酶。落新妇苷的预测靶标ABCG2与细胞的药物分子转运有关。结论在银屑灵5种主要化学成分中,异秦皮啶与银屑病的发病机理相关,可能是活性成分;落新妇苷与细胞的药物分子转运有关,可能是辅助成分,其他3种成分可能是无效成分。更多还原

【Abstract】 Objective To predict the biological effects of the main constituents of chlorogenic acid,paeoniflorin,isofraxidin,ferulic acid,and astilbin in Yinxieling Formula with cheminformatics and systematic biological tools.Methods Based on the chemical structure of the main constituents,target identification and enrichment analysis were conducted for the determination of the target proteins and possible molecular mechanisms of the constituents by using software package Metadrug(6.3)of GeneGo company.Results The predicted targets of cyclooxygenae-2(COX-2) and lipoxygenase(5-LOX) for isofraxidin were crucial to the inflammatory reaction,and the predicted target of ABCG2 for astilbin was related to the cellular transportation of drug molecules.The predicted targets of chlorogenic acid,paeoni-florin,and ferulic acid had no direct relation with the pathogenesis of psoriasis.Conclusion Of the five main con-stituents from Yinxielin Formula,isofraxidin may be the active constitutent for its correlation with the pathogenesis of psoriasis,astilbin may be the helper constituent for its relation with the transportation of drug molecules,and the other three constituents of chlorogenic acid,paeoniflorin,and ferulic acid may be the ineffective constituents.更多还原