中医康复2024，Vol.1Issue(8)：41-48,8.DOI:10.19787/j.issn.2097-3128.2024.08.008
基于网络药理学和分子对接探讨保和丸"异病同治"小儿厌食症和功能性消化不良的分子机制
Exploration on Molecular Mechanism of Baohe Pill in Treatment of Infantile Anorexia and Functional Dyspepsia with Concept of"Same Treatment for Different Diseases"Based on Network Pharmacology and Molecular Docking Technology
摘要
Abstract
Objective:To explore the potential molecular mechanism of the Baohe Pill in treatment of infantile anorexia(IA)and functional dyspepsia(FD)with the concept of"Same treatment for different diseases".Methods:The active ingredients and targets of Baohe Pill were collected through TCMSP,PubMed and CNKI.The IA and FD related targets were retrieved using DisGeNET,DrugBank,GeneCards,etc.The intersection target of IA and FD was obtained.The"drug-ingredients-targets"network was constructed through the Cytoscape software.Establishment protein-protein interac-tion network based on STRING database.GO function and KEGG pathway enrichment analysis were performed using R language.The molecular docking research between the key ingredients and the targets was conducted using CB-DOCK2.Results:A total of 112 intersection targets of the Baohe Pill for IA and FD were obtained.Six core ingredients of Luteolin,Quercetin,Wogonin,Beta-Sitosterol,Kaempferol,Naringenin,and six core targets of TP53,MAPK1,AKT1,MAPK3,BCL2 and ESR1 were screened out.GO and KEGG results showed that Baohe Pill through processes such as Lipid and atherosclerosis,PI3K/AKT,Endocrine resistance,IL-17,TNF and other signaling pathways to play a pharmacological role in the treatment of IA and FD.In the molecular docking verification,all binding energies were less than-5.0kcal·mol-1.Showing 68 groups with binding en-ergies less than-7.0kcal·mol-1,accounting for 66.67%.Conclusion:The core ingredients of the Baohe Pill play a role in treatment of IA and FD with the concept of"Same treatment for different diseases".Embodying the characteristics of Baohe Pill,which are multi-component,multi-target,multi-channels and multi-pathway.It provides a theoretical basis for further research on the clinical application of Baohe Pill.关键词
网络药理学/分子对接/保和丸/小儿厌食症/功能性消化不良Key words
network pharmacology/molecular docking/Baohe Pill/infantile anorexia/functional dyspepsia分类
医药卫生引用本文复制引用
赵纳,任翔宇,葛慧,张慧敏..基于网络药理学和分子对接探讨保和丸"异病同治"小儿厌食症和功能性消化不良的分子机制[J].中医康复,2024,1(8):41-48,8.基金项目
山东省中医药科技项目(2020Q068) （2020Q068）
济南市卫生健康委员会科技发展计划项目(2022-中-05) （2022-中-05）
济南市科技计划项目(202328002) （202328002）
