甘草酸抑制肿瘤的网络药理和分子对接分析  

The effects of glycyrrhizic acid on tumor based on network pharmacology and molecular docking

作　　者：郭伟强[1] 吴天惠 陈子明 张杰 张佳钰 胡翠英[1] 秦粉菊[1] GUO Weiqiang;WU Tianhui;CHEN Ziming;ZHANG Jie;ZHANG Jiayu;HU Cuiying;QIN Fenju(School of Chemistry and Life Sciences,SUST,Suzhou 215009,China)

机构地区：[1]苏州科技大学化学与生命科学学院,江苏苏州215009

出　　处：《苏州科技大学学报（自然科学版）》2023年第3期46-53,共8页Journal of Suzhou University of Science and Technology（Natural Science Edition）

基　　金：国家自然科学基金资助项目(81502958);苏州市民生科技项目(SS202086,SKJY2021032)。

摘　　要：基于反向对接等生物信息学手段和网络药理学方法,分析甘草酸(Glycyrrhizic Acid, GA)抑制肿瘤的潜在作用机制和靶蛋白。利用Super-PRED数据库找寻甘草酸的潜在作用蛋白,与在CTD数据库所筛选获得与肿瘤相关的靶蛋白进行交叉比对,找寻甘草酸抗肿瘤的相关潜在靶点。基于GO和KEGG分析,进一步构建“甘草酸-蛋白-肿瘤”相互关联网络。通过蛋白质-蛋白质相互作用(PPI)分析,找寻甘草酸抗肿瘤的关键蛋白,并进行分子对接验证。相关数据分析结果表明,HSP90AA1、mTOR、PI3KR1、STAT3等可能是甘草酸抑制肿瘤的潜在靶蛋白。甘草酸可能通过作用于上述靶蛋白参与PI3K/AKT、EGFR、HIF1等信号通路进而调控细胞增殖、凋亡等进程。甘草酸可能是治疗肿瘤的候选药物,其可能通过调控多靶点实现抗肿瘤的作用。该研究为甘草酸及其类似物在抗肿瘤临床应用提供了理论参考。Based on bioinformatics methods such as reverse docking and network pharmacology,we analyzed the potential anti-tumor mechanism and target proteins of glycyrrhizic acid(GA).Super-PRED database was used to find the potential proteins of GA,and the target proteins related to tumor were screened by CTD database.Then,the"glycyrrhizic acid protein disease"correlation network was further constructed by Cytoscape.The GO enrichment and KEGG pathway analysis of anti-tumor targets of GA were analyzed in the DAVIAD website.Proteinprotein interaction network was analyzed by STRING.Molecular docking was carried out to validate the docking of GA with potential anti-tumor targets.The results of related data analysis show that HSP90AA1,PI3KR1,mTOR and STAT3 are the potential anti-tumor target of GA.GA may participate in PI3K/Akt,EGFR,HIF1 and other signal pathways by acting on the above target proteins,so as to regulate the process of cell proliferation and apoptosis.GA can be a candidate drug for the treatment of tumor,and its anti-tumor effect may be achieved by regulating multiple targets.This study provides a theoretical reference for the clinical application of GA in antitumor.

关 键 词：甘草酸 肿瘤 网络药理学 作用机制 靶蛋白 

分 类 号：R285[医药卫生—中药学]