国际口腔医学杂志2025，Vol.52Issue(6)：771-782,12.DOI:10.7518/gjkq.2025063
复方丹参滴丸治疗口腔扁平苔藓的潜在靶标
Potential targets of compound Danshen dripping pill in the treatment of oral lichen planus based on network phar-macology and molecular docking
摘要
Abstract
Objective This study aimed to forecast the potential targets of compound Danshen dripping pill(CDDP)in treating oral lichen planus OLP(OLP)via network pharmacology and molecular docking.Methods The active com-pounds and targets of CDDP were searched in the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.The disease targets of OLP were obtained from multiple databases,such as DisGeNET.A drug-com-pound-target network was constructed by intersecting the targets to screen the key active components.A protein-protein interaction network was also built by intersecting the targets to select the key ones.Target intersection was also applied for gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses.The molecular docking and visualization of key active com-ponents and targets were also performed.Results A to-tal of 469 drug-disease intersecting targets were found.The key active components were bornyl acetate,dan-shexinkum D,and danshenol A,and the key targets were protein kinase B(AKT1),E1A binding protein p300(EP300),and estrogen receptor 1(ESR1).GO enrichment analysis indicated that the results of intersection targets included protein serine/threonine kinase activity,inflammatory response,signal transduction.KEGG enrichment analysis revealed various pathways such as cancer and AGE-RAGE signaling pathway in diabetic complications.Molecular docking showed that the results of AKT1,Harvey rat sarcoma virus(HRAS),and the three key active components were all≤-5.0 kcal/mol.Conclusion In OLP treatment,the active components of CDDP may participate in immune function,reduce oxidative stress,inhibit inflammation by acting on multiple targets such as AKT1 and HRAS,and regulate pathways including can-cer and AGE-RAGE signaling pathway.关键词
口腔扁平苔藓/复方丹参滴丸/网络药理学/作用靶标/分子对接Key words
oral lichen planus/compound Danshen dripping pill/network pharmacology/drug target/molecular docking分类
口腔医学引用本文复制引用
张逸之,史雪珂,吴芳龙,周红梅..复方丹参滴丸治疗口腔扁平苔藓的潜在靶标[J].国际口腔医学杂志,2025,52(6):771-782,12.基金项目
National Natural Science Foundation of China(82071124,82301095) （82071124,82301095）
Research and Develop Program,West China Hospital of Stomatology Sichuan University(RD-03-202410) 国家自然科学基金(82071124,82301095) （RD-03-202410）
四川大学华西口腔医院探索与研发项目(RD-03-202410) （RD-03-202410）
