基于网络药理学和分子对接技术的2,3-吲哚醌抗少弱精症机制研究  

Mechanistic Study of Isatin Against Oligoasthenozoospermia Based on Network Pharmacology and Molecular Docking

作　　者：倪倍倍[1] 代梦[1] 毕晓林 赵志臣[1] 岳旺[3] 隋忠国[1] NI Bei-bei;DAI Meng;BI Xiao-lin;ZHAO Zhi-chen;YUE Wang;SUI Zhong-guo(Department of Pharmacy,The Affiliated Hospital of Qingdao University,Qingdao 266000,China;Department of Nutrition,The Affiliated Hospital of Qingdao University,Qingdao 266000,China;Nursing and Health College,Qingdao Huanghai University,Qingdao 266427,China)

机构地区：[1]青岛大学附属医院药学部,青岛266000 [2]青岛大学附属医院营养科,青岛266000 [3]青岛黄海学院护理与健康学院,青岛266427

出　　处：《青岛大学学报（自然科学版）》2024年第2期22-28,共7页Journal of Qingdao University(Natural Science Edition)

基　　金：国家自然科学基金(批准号:30070867)资助。

摘　　要：为研究2,3-吲哚醌(isatin, ISA)治疗少弱精症的可能作用靶点和作用机制,基于公共数据库分别获取ISA作用靶点和少弱精症相关疾病靶点,确定交集靶点,采用Cytoscape软件获取核心靶点。通过GO功能富集和KEGG通路分析交集靶点,采用分子对接预测ISA与靶点蛋白的结合能力。研究结果显示,ISA干预少弱精症主要涉及氧化应激、细胞凋亡和炎症等生物学过程,并与p53信号通路、细胞衰老通路和IL-17信号通路密切相关;经筛选确定8个核心靶点,ISA与其中6个核心靶点稳定结合。这表明,ISA可能通过作用于核心靶点CASP3、TP53、ESR1、PTGS2、TNF和ANXA5,调控p53信号通路和IL-17信号通路发挥抗少弱精症作用。To investigate the potential targets and mechanisms of isatin(ISA)in the treatment of oligoasthenozoospermia,targets of ISA and disease-related targets were identified utilizing public databases to find intersecting targets.Core targets were then determined using Cytoscape software.GO functional enrichment and KEGG pathway analyses on the intersecting targets were conducted,and molecular docking was used to predict the binding affinity of ISA with core target proteins.The results indicate that ISA's intervention in oligoasthenozoospermia primarily involves biological processes such as oxidative stress,apoptosis,and inflammation,and is closely related to the p53 signaling pathway,the cell senescence pathway,and the IL-17 signaling pathway.After screening,eight core targets were identified,with ISA stably binding to six of them.Those suggest that ISA may exert its anti-oligoasthenospermia effects by modulating the p53 signaling pathway and the IL-17 signaling pathway through core targets including CASP3,TP53,ESR1,PTGS2,TNF and ANXA5.

关 键 词：2 3-吲哚醌 网络药理学 少弱精症 分子对接 

分 类 号：R963[医药卫生—微生物与生化药学]