基于网络药理学及分子对接技术探究猴头菇治疗慢性胃炎的潜在作用机制  

Potential mechanism of Hericium erinaceus in the treatment of chronic gastritis analysed by network pharmacology and molecular docking techniques

作　　者：甘泽隆 谢光波[1,2] 谢丽源[3] GAN Zelong;XIE Guangbo;XIE Liyuan(School of Life Science and Technology,University of Electronic Science and Technology of China,Chengdu 610054,Sichuan,China;Innovation Center for Electronic Information&Traditional Chinese Medicine(i-TCM),University of Electronic Science and Technology of China,Chengdu 610054,Sichuan,China;Sichuan Institute of Edible Fungi,Chengdu 610066,Sichuan,China)

机构地区：[1]电子科技大学生命科学与技术学院,四川成都610054 [2]电子科技大学电子信息与中医药融合创新研究中心,四川成都610054 [3]四川省食用菌研究所,四川成都610066

出　　处：《菌物学报》2023年第12期2422-2441,共20页Mycosystema

基　　金：四川省科技计划项目(2021YFN0094)

摘　　要：猴头菇是一种珍贵的食药两用大型真菌,常用于慢性胃炎、胃溃疡的治疗。为了探究猴头菇治疗慢性胃炎、胃溃疡的作用机制,本研究采用网络药理学方法筛选出猴头菇的活性成分、潜在作用靶点及相关信号通路,并通过分子对接技术对关键的化合物与潜在作用靶点的结合能力进行验证。研究结果表明,猴头菇中121个次级代谢产物和163个靶点共同参与慢性胃炎、胃溃疡治疗,蛋白质互作网络分析显示VEGFA、JUN、STAT3、TNF、IL6、ALB、AKT1和EGFR等为关键靶点,KEGG通路富集筛选得到28条信号通路。分子对接结果显示,猴头菇治疗慢性胃炎、胃溃疡的潜在关键化合物fomentarolA(24)、erinarolH(21)、(22E,24R)-6-O-acetylergosta-7,22-diene-3β,5α,6β-triol(14)和染料木素(genistein,110)分别与AKT1、JAK2、PTGS2、PPARG、EGFR、ALB和TNF等靶点具有十分良好的结合性能。本研究首次采用网络药理学方法对猴头菇治疗慢性胃炎、胃溃疡可能的作用机制进行了研究。结果表明猴头菇的活性成分可以通过多通路作用于多个靶点来治疗慢性胃炎、胃溃疡,为其临床使用提供了一定的科学依据。Hericium erinaceus is an important culinary and medicinal mushroom,and usually used for the treatment of chronic gastritis and gastric ulcer.In this study,network pharmacology approach and molecular docking were adopted to analyse molecular mechanism of H.erinaceus treating chronic gastritis and gastric ulcer.The results showed that 121 secondary metabolites and 163 potential therapeutic targets of H.erinaceus were involved in the treatment of chronic gastritis and gastric ulcer.Potential key targets,such as VEGFR,JUN,STAT3,TNF,IL6,ALB,AKT1 and EGFR were selected by protein interaction network analysis,and 28 signaling pathways were enriched via KEGG pathway analysis.Molecular docking results showed that the potential key compounds,fomentarol A(24),erinarol H(21),(22E,24R)-6-O-acetylergosta-7,22-diene-3b,5a,6b-triol(14)and genistein(110)could bind with ATK1,JAK2,PTGS2,PPARG,EGFR,ALB and TNF tightly.All these results indicated that H.erinaceus could relieve chronic gastritis and gastric ulcers through multiple compounds,multiple targets and multiple pathways.

关 键 词：猴头菇 慢性胃炎 胃溃疡 网络药理学 分子对接 

分 类 号：R285[医药卫生—中药学]