中国药房2026，Vol.37Issue(2)：161-167,7.DOI:10.6039/j.issn.1001-0408.2026.02.05
西黄丸抗弥漫大B细胞淋巴瘤的作用机制预测与验证
Mechanism prediction and verification of Xihuang pill against diffuse large B-cell lymphoma
摘要
Abstract
OBJECTIVE To investigate the mechanism of Xihuang pill(XHP)against diffuse large B-cell lymphoma(DLBCL).METHODS The active ingredients of XHP and potential therapeutic targets for DLBCL were identified using TCMSP,GeneCards and DisGeNET databases.Protein-protein interaction networks were constructed using the String database and Cytoscape software to screen core components and core targets.Gene ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses were then performed.The clinical relevance of core targets was analyzed using the GEPIA and PanCanSurvPlot databases.Molecular docking and molecular dynamics(MD)simulation were conducted to verify the interactions between core components and core targets,and the binding free energy was calculated using the molecular mechanics Poisson-Boltzmann surface area(MM-PBSA)method.The effects of XHP on DLBCL and the related molecular mechanisms were validated using CCK-8 assay,flow cytometry and Western blot.RESULTS Network pharmacology analysis identified 108 active ingredients of XHP and 410 potential therapeutic targets for DLBCL.Six core components(e.g.,17 beta-estradiol,quercetin)and ten core targets[e.g.,tumor protein 53(TP53),proto-oncogene tyrosine-protein kinase Src(SRC)]were obtained.Enrichment analysis indicated that the anti-DLBCL effects of XHP were primarily associated with the apoptotic signaling pathway,the phosphoinositide 3-kinase(PI3K)/protein kinase B(Akt)signaling pathway and so on.Clinical correlation analysis revealed that TP53 and SRC expression were significantly up-regulated in DLBCL tissues and associated with poor patient prognosis(P＜0.05).Molecular docking,MD simulations and MM-PBSA calculations confirmed that the SRC-quercetin complex had a stronger and more stable binding affinity.In vitro experiments demonstrated that XHP concentration-dependently inhibited the proliferation of DLBCL cells;compared with control group,XHP medium-and high-dose groups could significantly induce the apoptosis of SU-DHL2 and SU-DHL4 cells,and significantly down-regulated the expressions of SRC protein,phosphorylated(p)-PI3K/PI3K and p-Akt/Akt in SU-DHL4 cells(P＜0.05).CONCLUSIONS XHP may inhibit the proliferation and induce the apoptosis of DLBCL cells by regulating the SRC/PI3K/Akt signaling pathway.关键词
西黄丸/弥漫大B细胞淋巴瘤/网络药理学/分子对接/分子动力学模拟Key words
Xihuang pill/diffuse large B-cell lymphoma/network pharmacology/molecular docking/molecular dynamics simulation分类
医药卫生引用本文复制引用
黄茹意,李金宇,林文琪,江鑫,陈燕玲,黄伟昆,杨琳..西黄丸抗弥漫大B细胞淋巴瘤的作用机制预测与验证[J].中国药房,2026,37(2):161-167,7.基金项目
福建省卫健委科技计划项目(No.2022CXA027) （No.2022CXA027）
福建省科技创新联合资金项目(No.2025Y9690) （No.2025Y9690）
福建医科大学启航项目(No.2023QH1155) （No.2023QH1155）
