基于系统药理学对天山雪莲活性成分的预测

目的:通过系统药理学方法预测天山雪莲的活性成分,并验证预测结果。方法:在中药系统药理学分析平台(traditional Chinese medicine systems pharmacology,TCMSP)数据库收集天山雪莲中的成分,利用类药性(druglikeness,DL)筛选出活性化合物;构建化合物-靶点、靶点-疾病分类、癌症-靶点关系图,预测天山雪莲治疗疾病的机制;磺酰罗丹明B(sulforhodamine B,SRB)比色法测定不同浓度天山雪莲注射液对非小细胞肺癌A549的抑制率,酶联免疫吸附测定法(enzymelinked immuno sorbent assay,ELISA)检测不同药物浓度处理的A549中前列腺素E2(prostaglandin E2,PGE2)的含量。结果:筛选出24种活性化合物;随药物浓度增加对A549的抑制率随之升高,抑制率在质量浓度为110 mg·L-1时最高为86.22%;不同质量浓度药物干预后,A549细胞中PGE2分泌量较无药物干预组均有不同程度的降低(P0.05)。结论:采用系统药理学方法预测了天山雪莲作用机制,通过实验验证此预测方法比较可靠,为天山雪莲药理作用的研究提供了新的研究方法。

Prediction of Active Constituents in Saussureae Involucratae Herba Based on Systematic Pharmacology

Objective: To predict the active components from Saussureae Involucratae Herba by system pharmacology, and verify the prediction results. Method: Components in Saussureae Involucratae Herba were collected through the traditional Chinese medicine systems pharmacology (TCMSP) database; then active components were screened out if the druglikeness (DL) was at least 0.18.The relation graph of compounds-targets, targets-diseases and cancers-targets were constructed, so as to find the mechanisms for treating diseases with Saussureae Involucratae Herba. Next, the inhibitory effect against A549 cells was tested by SRB method. Meanwhile, the amount of prostaglandin E₂ (PGE₂) in A549 cells was quantified by enzyme-linked immuno sorbent assay (ELISA) kit after the treatments with the drugs at different concentrations. Result: The 24 components were screened out, and their inhibitory rates on A549 cells increased with the rise of concentration. The highest inhibitory rate was 86.22% at the concentration of about 110 mg·L^-1. Compared with non-drug treated group, the amount of cellular PGE₂ was decreased to different degrees (P<0.05) after the drug treatment. Conclusion: The treatment methods of Saussureae Involucratae Herba were predicted by system pharmacology, which was demonstrated to be reliable by the experiment. Therefore, this study provides a new research method for the discovery of Saussureae Involucratae Herba pharmaceutical effects.