动物营养学报2025，Vol.37Issue(2)：1325-1339,15.DOI:10.12418/CJAN2025.114
基于网络药理学和分子对接探究罗汉果提取物抗炎作用机制
To Explore Anti-Inflammatory Mechanism of Momordica grosvenori Extract Based on Network Pharmacology and Molecular Docking
摘要
Abstract
The objective of this study was to examine the regulatory impact and potential molecular mechanism of Siraitia grosvenorii extract on inflammation in animals.First,the mice test was carried.Eighteen C57/BL6 mice were divided into 3 groups,with 6 mice in each group.Mice in CON group and LPS group were fed a normal diet,and mice in PSE group were given Siraitia grosvenorii extract(100 mg/kg BW)intragastrically on the basis of feeding the normal diet for 14 days.On the 15th day,mice in the CON group were not treated,and those in the LPS group and PSE group were injected intraperitoneally with LPS(5 mg/kg BW)to estab-lish an inflammatory model.Six hours after LPS injection,all mice were sacrificed for sampling,and the con-tents of immunoglobulin G(IgG)and immunoglobulin M(IgM)in serum and the expression of inflammatory factors in jejunum and spleen were determined.Subsequently,the principal effective constituents and targets of Siraitia grosvenorii extract were identified through a screening process conducted using the Traditional Chinese Medicine Systems Pharmacology and Analysis Platform Database(TCMSP).Additionally,the targets associat-ed with inflammation were collated through GeneCards,DisGeNET and OMIM databases.A protein-protein in-teraction(PPI)network diagram was constructed using the target data,and GO function and KEGG pathway enrichment analysis were performed.Subsequently,PyMOL and AutodockTools software were employed to undertake molecular docking between the five most prominent core targets and the effective constituents,there-by corroborating the binding efficacy of the pivotal effective constituents with the core targets.The results showed as follows:1)the administration of Siraitia grosvenorii extract could significantly or extremely signifi-cantly increase the contents of serum IgG and IgM of mice with LPS-induced inflammation(P＜0.05 or P＜0.01).Furthermore,it could significantly or extremely significantly reduce the mRNA expression levels of tumor necrosis factor-α(TNF-α),interleukin-1β(IL-1β)in jejunum and interleukin-6(IL-6)in spleen(P＜0.05 or P＜0.01),and it also could significantly increase the mRNA expression levels of interleukin-10(IL-10)in spleen(P＜0.05).2)A network pharmacological analysis revealed the presence of three anti-inflamma-tory effective constituents in Siraitia grosvenorii extract,namely kaempferol,chuanxiongole and rosmarinic acid.The top five core targets were identified as serine threonine protein kinase 1(AKT1),cysteine aspartic protease 3(CASP3),epidermal growth factor receptor(EGFR),matrix metalloproteinase 9(MMP9)and prostaglandin endoperoxide synthase 2(PTGS2).A total of 324 biological processes,54 cell components and 99 molecular functions were identified through the GO functional enrichment analysis.A total of 105 related signaling pathways were identified through the KEGG pathway enrichment analysis,with the phosphatidylinosi-tol 3 kinase-protein kinase B(PI3K-Akt)signaling pathway,interleukin-17(IL-17)signaling pathway and tumor necrosis factor(TNF)signaling pathway representing the most prominent among them.3)The results of the molecular docking demonstrated that the binding free energy of the core targets and the effective constituents was less than 0 kJ/mol,indicating that the Siraitia grosvenorii extract was capable of spontaneous binding to the core target.In summary,this study screens the effective constituents and targets of Siraitia grosvenorii ex-tract in the context of inflammation,and investigates its underlying molecular mechanisms.This research pro-vides a theoretical foundation for the subsequent application and advancement of Siraitia grosvenorii extract.[Chinese Journal of Animal Nutrition,2025,37(2):1325-1339]关键词
罗汉果提取物/网络药理学/分子对接/炎症/作用机制Key words
Siraitia grosvenorii extract/network pharmacology/molecular docking/inflammation/mecha-nism of action分类
农业科技引用本文复制引用
张进,武慧宁,赵林露,郭梦如,何洁仪,刘晓曦..基于网络药理学和分子对接探究罗汉果提取物抗炎作用机制[J].动物营养学报,2025,37(2):1325-1339,15.基金项目
国家自然科学基金青年科学基金(31902314) （31902314）
广东海洋大学南海学者计划(002029002005) （002029002005）
