中国肛肠病杂志2025，Vol.45Issue(5)：8-13,6.
基于网络药理学和分子对接探讨苗药天葵子治疗肛周脓肿的作用机制
Mechanism of Miao Medicine Tiankuizi(Semiaquilegiae Radix)in Treatment of Perianal Abscess Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To explore the mechanism of Tiankuizi(Semiaquilegiae Radix)in treatment of perianal abscess through network pharmacology and molecular docking.Methods The active ingredients of Tiankuizi were screened through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).The action targets of active ingredients in the treatment of perianal abscess were obtained by using the Swiss Target Prediction database.The disease targets of perianal abscess were obtained from Gene Name Card database(GeneCards),Therapeutic Targets Database(TTD)and Online Mendelian Inheritance in Man database(OMIM).Venn diagram was drawn to obtain the intersection tar-gets.Functional protein association network(STRING)and Cytoscape software were used to analyze the network topology of intersection targets and screen the key targets.Molecular docking technology was used to verify the binding affinity of the active ingredients of Tiankuizi to the related targets of perianal ab-scess.Results A total of 7 active ingredients were obtained and 171 predicted targets were identified.A total of 602 targets for perianal abscess were obtained.Finally,22 intersection targets were obtained.Three core targets including caspase3(CASP3),progesterone receptor(PGR)and kinase insertion domain receptor(KDR)were screened by Degree ranking.GO and KEGG enrichment analysis showed that Tiankuizi could play a role in the treatment of perianal abscess by signaling pathways of the proteoglycans in cancer,chemical carcinogenesis-receptor activation,AGE-RAGE signaling pathway in diabetic complica-tions,etc.Through molecular docking,11 out of 12 molecular docking results between the core active in-gredients and the core targets were less than-5 kcal/mol,indicating a high binding affinity between the two.Conclusion Tiankuizi can treat perianal abscess through multi-component,multi-target and multi-pathway.The core active ingredients,core targets and core signaling pathways of Tiankuizi for the treat-ment of perianal abscess predicted in this study provide a reference for future in-depth research.关键词
天葵子/网络药理学/分子对接/作用机制/肛周脓肿/苗药Key words
Tiankuizi(Semiaquilegiae Radix)/Network pharmacology/Molecular docking/Mecha-nism/Perianal abscess/Miao medicine引用本文复制引用
王杰,贾月嫦,黎喜平..基于网络药理学和分子对接探讨苗药天葵子治疗肛周脓肿的作用机制[J].中国肛肠病杂志,2025,45(5):8-13,6.基金项目
贵州省科技计划项目(黔科合基础-ZK[2023]一般424) （黔科合基础-ZK[2023]一般424）
