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癫痫的抗癫痫治疗:来自网络药理学的证据

Antiepileptic Therapy of : Evidence from Network Pharmacology.

作者信息

Wang Yue, Li Xia, Dou Peixuan, Qiao Tong, Chang Ying

机构信息

Changchun University of Chinese Medicine, Postgraduate of College of Chinese Medicine, 130117, No. 1035, Boshuo Road, Jingyue National High-tech Industrial Development Zone, Changchun, Jilin (Province), China.

Affiliated Hospital of Changchun University of Chinese Medicine, Chief Physician of Neurology, Master Tutor, 130000, Gongnong Road, Changchun, Jilin, China.

出版信息

Evid Based Complement Alternat Med. 2022 Jun 6;2022:7748787. doi: 10.1155/2022/7748787. eCollection 2022.

Abstract

The present study explores the mechanism of antiepileptic treatment of through network pharmacology. During this process, several databases were recruited, e.g., the TCMSP database, HERB database, and SwissTargetPrediction database were used to retrieve the active components and targets of ; GeneCards database and OMIM database were used to retrieve the targets of epilepsy. The targets of epilepsy and were subjected to target intersection in venny2.1, and protein interaction analysis of in the String database. We set the Cyto NCA plug-in condition as betweenness; selected the first 8 genes of betweenness as the core genes; performed the integrative bioinformatics of candidates by GO analysis and KEGG analysis. Moreover, AutoDockTools and AutoDockVina software were used to perform the molecular docking; Pymol was used to perform the docking visualization. We obtained three active components of , which are mainly related to -sitosterol and stigmasterol; 92 intersection targets of epilepsy of , including 9 core targets such as AKT1, ESR1, MMP9, CES1, SRC, HIF1A, ABCB1, CASP3, and SNCA; 8 core targets were flavanone constituent proteins. Define value less than 0.05; according to the screening principle, the first 20 GO pathways and KEGG pathways were selected. We found that was mainly connected with epilepsy through the neuroactive ligand-receptor interaction signaling pathway, the neurodegeneration pathway, and multiple disease signaling pathway; the docking between ESR1 and components is the most stable among the core targets. Besides, the binding energies of the core targets were all less than -5 kcal mol. Taken together, the current research provides a new strategy for the antiepileptic treatment of Abrus cantoniensis.

摘要

本研究通过网络药理学探索了鸡骨草抗癫痫治疗的机制。在此过程中,招募了多个数据库,例如使用中药系统药理学数据库(TCMSP数据库)、中药综合数据库(HERB数据库)和瑞士靶点预测数据库(SwissTargetPrediction数据库)来检索鸡骨草的活性成分和靶点;使用基因卡片数据库(GeneCards数据库)和在线人类孟德尔遗传数据库(OMIM数据库)来检索癫痫的靶点。将癫痫的靶点与鸡骨草的靶点在venny2.1中进行靶点交集,并在String数据库中对鸡骨草进行蛋白质相互作用分析。我们将Cyto NCA插件条件设置为介数中心性;选择介数中心性排名前8的基因作为核心基因;通过基因本体(GO)分析和京都基因与基因组百科全书(KEGG)分析对候选基因进行综合生物信息学分析。此外,使用AutoDockTools和AutoDockVina软件进行分子对接;使用Pymol进行对接可视化。我们获得了鸡骨草的三种活性成分,它们主要与β-谷甾醇和豆甾醇有关;鸡骨草与癫痫的92个交集靶点,包括蛋白激酶B1(AKT1)、雌激素受体1(ESR1)、基质金属蛋白酶9(MMP9)、羧酸酯酶1(CES1)、原癌基因酪氨酸蛋白激酶(SRC)、缺氧诱导因子1α(HIF1A)、ATP结合盒转运蛋白B1(ABCB1)、半胱天冬酶3(CASP3)和突触核蛋白(SNCA)等9个核心靶点;8个核心靶点为黄酮类成分蛋白。定义P值小于0.05;根据筛选原则,选择前20条GO通路和KEGG通路。我们发现鸡骨草主要通过神经活性配体-受体相互作用信号通路、神经退行性变通路和多种疾病信号通路与癫痫相关;在核心靶点中,雌激素受体1与各成分之间的对接最为稳定。此外,核心靶点的结合能均小于-5千卡/摩尔。综上所述,当前研究为鸡骨草的抗癫痫治疗提供了一种新策略。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ed/9192286/10e4aff17485/ECAM2022-7748787.001.jpg

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