基于数据挖掘的备选新处方“成分-疾病-靶标-通路”预测分析——以抗抑郁新方发现为例

Analysis on “Component-Target-Pathway” of Alternative New Prescription Xiangpu Jieyu Formula in Treatment of Depression Based on Data Mining

目的:预测抗抑郁新方(香蒲解郁方)治疗抑郁症的分子作用机制。方法:使用整合药理学平台V1. 0对通过文本挖掘获取的香蒲解郁方的中药成分及抑郁症疾病靶标数据进行靶标预测、蛋白质-蛋白质相互作用信息(PPI)、基因功能和通路富集等分析,构建香蒲解郁方治疗抑郁症疾病'成分-靶标-通路'多维网络并可视化展示,筛选核心成分、关键标靶与主要通路。结果:预测分析发现香蒲解郁方中有219个成分和1925个靶标与抑郁症相关,其中姜黄酮、姜黄素、挥发油、α-细辛醚,β-细辛醚等为发挥抗抑郁作用的主要成分,五羟色胺受体(HTR2C)、δ型阿片受体(OPRD1)、μ型阿片受体(OPRM1)、κ型阿片受体(OPRK1)等为候选关键靶标,神经系统、神经网络信号通路、趋化因子信号通路等为主要通路。结论:通过整合药理学分析预测发现抗抑郁新处方-香蒲解郁方抗抑郁药化成分主要来自郁金、石菖蒲、香附、生姜、合欢皮,对神经和内分泌系统进行网络状综合调节为其主要作用机制。

Objective:To predict the molecular mechanism of the new anti-depression formula Xiangpu Jieyu Formula.Methods:Integrative pharmacology platform V1.0 provides the analysis between the Chinese native medicine ingredient of Xiangpu Jieyu Formula and the disease target data about depression.The analysis included target prediction,protein-protein interaction information(PPI),gene function and the enrichment of pathway and build the multidimensional network and visual display about'core ingredient-key target-main pathway'of Xiangpu Jieyu Formula which can treat depression.And we screened core components,key targets and major pathways.Results:Through the integration of pharmacological platform,219 components and 1925 targets were predicted to be related to depression.Among components,ginger flavonoids,curcumin,volatile oil,α-asarone andβ-asarone are the main components that exert antidepressant effects.And the candidate key targets mainly included 5-hydroxytryptamine receptor 2C(HTR2C),Delta-type opioid receptor(OPRD1),Mu-type opioid receptor(OPRM1)and Kappa-type opioid receptor(OPRK1).The nervous system,neural network signal pathways and chemokine signal pathways are the main pathways.Conclusion:Through integrated pharmacological analysis and prediction,the main anti-depression components about the new anti-depression formula Xiangpu Jieyu Formula come from Yujin,Shichangpu,Xiangfu,Shengjiang and Hehuanpi.And the formula can take network-type comprehensive regulation to nervous and endocrine system as the main mechanism.