皮肤性病诊疗学杂志2024，Vol.31Issue(5)：326-333,8.DOI:10.3969/j.issn.1674-8468.2024.05.006
补肾益精法调控AhR通路治疗硬皮病的机制:基于网络药理学及分子对接
Study on the mechanisms by which Bushen Yijing Decoction regulates AhR pathway in the treatment of scleroderma:Based on network pharmacology and molecular docking
摘要
Abstract
Objective To analyze the effects and molecular mechanisms of AhR signaling pathway in the treatment of scleroderma with Bushen Yijing Decoction.Methods The active in-gredients of Bushen Yijing Decoction and its target genes,AhR signaling pathway genes and the genes related to scleroderma were searched through TCMSP and other databases,and LC-MS re-sults.Target gene network diagram of scleroderma,AhR pathway and the key active ingredients in Bushen Yijing Decoction were constructed.The protein-protein interaction network was constructed with STRING database,and GO and Genome KEGG were also performed.Finally,the molecular docking of the active ingredients and AhR were verified.Results Ferulic acid,quercetin,kaempferol,isoferulic acid and luteolin were key active ingredients in Bushen Yijing Decoction for the treatment of scleroderma by targeting AhR signaling pathway.These active ingredients possibly regulated AhR signaling pathway molecules,including IL-6,CTNNB1,HSP90AA1,TNF and PTGS2,which were involved in the pathogenesis of scleroderma.Molecular docking showed that the binding energies of ferulic acid,kaempferol,quercetin,isoferulic acid and luteolin with AhR were lower than-6.0 kcal/mol,indicating a good binding activity.Conclusions The mecha-nisms by which Bushen Yijing Decoction treats scleroderma can be attributed to the active ingredi-ents such as ferulic acid,quercetin,kaempferol,isoferulic acid,luteolin,which target AhR sig-naling pathway and regulate core targets,including IL-6,CTNNB1,HSP90AA1,TNF and PTGS2.关键词
硬皮病/补肾益精法/芳香烃受体/网络药理学Key words
scleroderma/Bushen Yijing Decoction/Aryl hydrocarbon receptor/network pharmacology引用本文复制引用
朱显忠,麦佩君,单玉花,廖海琴,朱珂,杨文林,齐庆..补肾益精法调控AhR通路治疗硬皮病的机制:基于网络药理学及分子对接[J].皮肤性病诊疗学杂志,2024,31(5):326-333,8.基金项目
国家自然科学基金(82374443) （82374443）
广州市科技计划项目(202201020091) （202201020091）
广州医科大学科研能力提升项目(2024SRP085) （2024SRP085）
