基于网络药理学探讨白芍镇痛机制

Investigation of the Analgesic mechanism of Paeonia lactiflora Based on Network Pharmacology

目的运用网络药理学筛选白芍有效成分及治疗靶标,对其治疗疼痛的分子机制进行科学阐释。方法采用TCMSP选取活性成分及CAS,Pubchem获取其“SMILES”,利用反向分子对接原理,获取潜在靶点。GeenCards获得疼痛相关靶点,利用韦恩图筛选白芍治疗疼痛的靶点蛋白。String构建蛋白间相互关系,DAVID进行GO分析及KEGG分析。结果筛选了11个活性成分及97个潜在的治疗靶点,通过KEGG分析获得可能与疼痛相关的信号通路:Serotonergic synapse,Calcium signaling pathway、Inflammatory mediator regulation of TRP channels;其对应基因:PRKCA.CASP3、ALOX15、SLC6A4,PRKCG、ALOX5、PRKCB,ALOX12.EGFR、ADRB2、RYR3、RYR1.NOS2、PTAFR、PRKCQ.PRKCD.结论白芍可能通过TRP信号通路、Ca"信号通路及5-HT受体缓解疼痛。

Objective The effective components and therapeutic targets of Paeonia lactiflora were screened by network pharmacology,and the molecular mechanism of pain treatment was explained scientifically.Methods TCMSP was used to select active ingredients and CAS,then Pubchem was used to obtain SMILES,and reverse molecular docking was used to obtain potential targets.GeenCards obtained pain-related targets and screened the target proteins of Paeonia lactiflora for pain treatment by Wayne diagram.String constructed the relationship between proteins.DAVID was used for GO analysis and KEGG analysis.Results Eleven active ingredients and 97 potential therapeutic targets were screened,and pain-related signaling pathways were obtained by KEGG analysis,which are Serotonergic synapse,Calcium signaling pathway,Inflammatory mediator regulation of TRP channels.And the corresponding genes are PRKCA,CASP3,ALOX 15,SLC6A4,PRKCG,AL0X5,PRKCB,ALOX12,EGFR,ADRB2,RYR3,RYR1,NOS2,PTAFR,PRKCQ,and PRKCD.Conclusion Paeonia lactiflora may alleviate pain through TRP signaling pathway,Ca2+signaling pathway and 5-HT receptor.