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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。
Objective To predict the physiological activities of 5 main chemical components of psoriasis (chlorogenic acid, paeoniflorin, isofenzil, ferulic acid and stilbene) by using chemical informatics and system biology techniques. Methods The Genes Metadrug software was used to study the target of psoriasin and its possible molecular mechanisms. Results The predicted targets of chlorogenic acid, paeoniflorin, ferulic acid and astilbin had no direct relationship with the pathogenesis of psoriasis. Cyclooxygenae-2 (COX-2) And 5-lipoxygenase (5-LOX) are the key enzymes of inflammatory reaction. Anticancer target ABCG2 is predicted to be involved in cellular drug molecule transport. CONCLUSIONS: Isofenborine is related to the pathogenesis of psoriasis among the five main chemical components of psoriasis, and may be the active ingredient. Astilbin may be involved in drug molecule transport of cells, which may be an auxiliary component. The other three components may be involved Is an invalid ingredient.