基于网络药理学预测穿心莲内酯抗呼吸道感染的分子作用机制

Molecular Mechanism of Andrographolide against Respiratory Tract Infection Predicted by Network Pharmacology

目的:基于网络药理学系统探究穿心莲内酯抗呼吸道感染的分子作用机制。方法:采用网络药理学方法从Pubchem查找穿心莲内酯的相关信息,在PubMed、DrugBank、Swiss Target Prediction和BATMAN数据库查找穿心莲内酯的作用靶标,再从CTD数据库、Genecards和DiGSEE数据库查寻关于呼吸道感染的相关靶标,通过将穿心莲内酯的作用靶标与呼吸道感染的相关靶标进行交集得到重叠靶标,再用生物信息学方法分析重叠靶标,最后用分子对接方法反向验证预测的靶标与穿心莲内酯的结合性。结果:共收集到穿心莲内酯114个作用靶标,其中35个潜在作用靶标与呼吸道感染发病机制相关,这些潜在作用靶标参与多种生物学过程,富集出93条信号通路;分子对接结果显示穿心莲内酯与作用靶点有较好的结合性,且该预测具有一定准确性。结论:穿心莲内酯通过与多种受体蛋白结合多靶点、多途径地干预呼吸道感染的发生发展。

Objective:To systematically explore molecular mechanism of andrographolide against respiratory tract infection(RTI).Methods:The relevant information of andrographolide was searched from Pubchem by using network pharmacology method,the action targets of andrographolide were sought from PubMed,DrugBank,Swiss Target Prediction and BATMAN database,the relevant targets of RTI were surveyed from CTD,Genecards and DIGSEE databases,the overlapping targets were obtained by intersecting the action targets of andrographolide and the related targets of RTI,and they were analyzed by bioinformatics method,finally,the binding between the predicted targets and andrographolide was inversely verified by molecular docking method.Results:A total of 114 action targets of andrographolide have been collected,among them,35 potential action targets are related to the mechanism of RTI,these potential action targets participate in a variety of biological processes,and 93 signaling pathways are enriched;molecular docking results indicates that andrographolide has good binding with the action targets,and the prediction has certain accuracy.Conclusion:Andrographolide could intervene the incidence and development of RTI through binding with a variety of receptor proteins via many targets and channels.