海南医科大学学报2025，Vol.31Issue(2)：118-130,13.DOI:10.13210/j.cnki.jhmu.20240924.001
基于网络药理学、分子对接及实验验证探讨清心宁神汤治疗心不藏神不寐的作用机制
Mechanism of Qingxin Ningshen Decoction in the treatment of heart not holding spirit sleepless based on network pharmacology,molecular docking,and experimental verification
摘要
Abstract
Objective:To explore the mechanism of Qingxin Ningshen Decoction in the treatment of insomnia,and to carry out experimental verification,based on network pharmacology and molecular docking technology.Methods:The active ingredi-ents and their targets of Qingxin Ningshen Decoction were searched using the TCM system pharmacology database analysis plat-form,and then the targets related to insomnia were screened in disgenet,OMIM,and GeneCards databases.Subsequently,the protein interaction network(PPI)database was constructed,and the intersection genes related to drugs and diseases were upload-ed to the DAVID database for enrichment analysis of KEGG and GO pathways,so as to predict the potential targets and signaling pathways of Qingxin Ningshen Decoction in the treatment of insomnia.In addition,the molecular docking analysis of the main ac-tive components of Qingxin Ningshen Decoction and the core target protein was carried out,and the influence of these active com-ponents and protein targets on the related indexes of the treatment of insomnia rat model with cardiac failure was verified by animal experiments.Results:In the intersection analysis of drug action targets and insomnia related target genes,181 target genes were identified.Among them,AKT1,TNF,TP53,IL-6,and IL-1β were the core targets.A total of 1 052 items were screened by GO analysis.There were 789 main items of biological function(BP),103 related to cell components(CC),and 160 related to molecular function(MF)in Qingxin Ningshen Decoction for insomnia.KEGG pathway enrichment analysis revealed significant enrichment of 170 signaling pathways such as PI3K/AKT.Molecular docking analysis showed that AKT,NRF2,SOD and other key targets had a strong affinity with insomnia drugs.The results of animal experiments showed that Qingxin Ningshen decoction could improve the expression of GSH-Px,SOD and NRF2,and improve the oxidative stress reaction in vivo.Conclusion:Qingx-in Ningshen Decoction can affect the oxidative stress response of human body by acting on multiple targets and multiple signaling pathways,thereby improving the expression levels of GSH-Px,SOD and NRF2,and regulating the expression of key proteins in PI3K/AKT signaling pathway,so as to achieve the effect of treating insomnia.关键词
清心宁神汤/心不藏神不寐/网络药理学/分子对接/机制研究Key words
Qingxin Ningshen Decoction/Insomnia/Network pharmacology/Molecular docking/Mechanism research分类
医药卫生引用本文复制引用
吴金鸿,胡龙涛,张星平,梁政亭,梁瑞宁,陈旭,贾宏林,李振辉,胡燕玲,崔文军..基于网络药理学、分子对接及实验验证探讨清心宁神汤治疗心不藏神不寐的作用机制[J].海南医科大学学报,2025,31(2):118-130,13.基金项目
This study was supported by the National Natural Science Foundation of China(82160873,81960837,81560762,81260526),Natural Science Foundation of Xinjiang Uygur Autonomous Region(2022D01D48),State Administration of Traditional Chinese Medicine"14th Five-Year"High-Level Key Disciplines Of Traditional Chinese Medicine[Chinese Medicine Education Letter(2023)No.85],and National Famous and Old Traditional Chinese Medicine Experts Inheritance Studio[Chinese Medicine Education Letter(2022)No.75]. 国家自然科学基金资助项目(82160873,81960837,81560762,81260526) （82160873,81960837,81560762,81260526）
新疆维吾尔自治区自然科学基金资助项目(2022D01D48) （2022D01D48）
国家中医药管理局"十四五"高水平中医药重点学科(国中医药人教函[2023]85号) （国中医药人教函[2023]85号）
全国名老中医药专家传承工作室(国中医药人教函[2022]75号) （国中医药人教函[2022]75号）
