浙贝母抗炎作用的网络药理学研究

Network pharmacology study on anti-inflammatory effect of Fritillaria thunbergii

采用网络药理学及分子对接技术分析浙贝母抗炎作用机制.综合文献检索和数据库挖掘进行活性成分筛选、靶点预测和炎症相关基因收集,构建成分-靶点-疾病网络,并进行GO和KEGG分析,最后通过分子对接技术进行初步验证.研究结果表明浙贝母中鄂贝定碱、3-去氢浙贝母碱、苦鬼臼毒素、Ebeiedinone、西贝素、环巴胺、贝母素乙、贝母素甲和贝母辛等活性成分,可能作用于HSP90AA1、AKT1、EP300、SRC、CXCL8等靶点,通过调节对低氧的反应、对脂多糖的反应、氧化应激反应、炎症反应调节、PI3K-Akt信号通路、Th17细胞分化、NF-κB信号通路、VEGF信号通路等生物过程发挥抗炎作用.分子对接结果显示结合活性良好,主要作用形式为氢键连接和疏水作用.浙贝母发挥抗炎作用具有多靶标、多成分、多途径的特点,期待为后续浙贝母药材进一步深入开发利用提供理论参考.

Network pharmacology and molecular docking techniques were used to analyze the anti-inflammatory mechanism of Fritillaria thunbergii.Comprehensive literature search and database mining were used to screen active components,predict targets,and collect inflammation-related genes,respectively construct component-target-disease networks and target-protein interaction networks,and conduct GO and KEGG analysis.Finally,molecular docking technology was used to conduct Initial verification.The results showed that Ebeiedine,3-Dehydroverticine,picropodophyllotoxin,Ebeiedinone,Sipeimine,cyclopamine,peimimine,peimine and peimisine were active components in Fritillaria thunbergii May act on HSP90AA1,AKT1,EP300,SRC,CXCL8 and other targets,by regulating the response to decreased oxygen levels,lipopolysaccharide,oxidative stress,inflammatory response regulation,PI3K-Akt signaling pathway,Th17 cell differentiation,HIF-1 signaling pathway,NF-κB signaling pathway,and VEGF signaling pathway play an anti-inflammatory role.Molecular docking results showed that the binding activity was good,and the main interaction forms were hydrogen bonding and hydrophobic interaction.Zhe Fritillaria has the characteristics of multi-target,multi-component and multi-pathway to exert its anti-inflammatory effect.It is expected to provide theoretical reference for the further development and utilization of Fritillaria thunbergii medicinal materials.