肉苁蓉- 当归治疗帕金森病的分子机制分析

Exploration of the molecular mechanisms of Cistanche Deserticola-Angelica Sinensis in the treatment of Parkinson's disease

目的:通过网络药理学及深度学习探讨肉苁蓉-当归药对治疗帕金森病(PD)的作用靶点与潜在机制。方法:利用TCMSP库筛选肉苁蓉-当归药对的化学成分,使用PubChem数据库查找药物靶点数据,探讨治疗PD的肉苁蓉-当归药对的核心靶点和分子机制,为准确评估药物分子与蛋白质靶标之间的结合力,使用DeepPurpose项目开发的CNN_CNN_BindingDB模型。结果:疾病-药对交叉的基因中,共有131个共有基因。对共有基因进行GO、KEGG富集分析,结果显示肉苁蓉-当归药对改善PD患者症状手段包括外源因素刺激、感染、脂多糖相关反应、活性氧应答等。KEGG通路主要包括化学诱癌-受体激活、AGE-RAGE信号通路等。结论:肉苁蓉-当归药对的主要成分和PD核心靶点发生良好的结合,在PD的治疗中可能扮演重要角色,此药对的β-谷甾醇、槲皮素等活性成分可能作用于PD的多个靶点,影响自噬、凋亡、氧化应激及炎症反应等。

Objective To explore the potential targets and underlying mechanisms of Cistanche Deserticola and Angelica Sinensis(Cistanche-Angelica)in the treatment of Parkinson's disease(PD)through network pharmacology and deep learning.Methods The chemical components of the Cistanche-Angelica drug pair were screened using the TCMSP database.Drug target data were obtained from the PubChem database.This study investigated the core targets and molecular mechanisms of the Cistanche-Angelica drug pair in treating PD.The CNN_CNN_BindingDB model developed by the DeepPurpose project was utilized to accurately assess the binding affinity between drug molecules and protein targets.Results Among the intersected genes between disease and drug pairs,131 common genes were found.GO and KEGG enrichment analysis of the common genes suggested that the Cistanche-Angelica drug pair improves the symptoms of PD patients by mechanisms including response to exogenous factors stimulation,infections,lipopolysaccharide-associated responses,and reactive oxygen species responses.Major KEGG pathways include chemical carcinogenesis-receptor activation,AGE-RAGE signaling pathway.Conclusions The primary active components of Cistanche-Angelica act on PD through multiple targets and pathways,closely related to autophagy,apoptosis,oxidative stress,and inflammation stimulation.