中国临床药理学与治疗学2026，Vol.31Issue(3)：313-323,11.DOI:10.12092/j.issn.1009-2501.2026.03.003
网络药理学与分子对接联合实验验证的加味二妙散抗急性痛风性关节炎机制研究
Unraveling the molecular mechanisms of modified Er-Miao-San(MEMS)in acute gouty arthritis:a multidisciplinary integration of network pharmacology,molecular docking,and experimental valida-tion
摘要
Abstract
AIM:To investigate the therapeutic ef-ficacy and potential mechanisms of modified Er Miao-San(MEMS)in the treatment of Acute Gouty Arthritis(AGA).METHODS:Network pharmacology,molecular docking,and molecular dynamics simula-tions were used to validate the interactions be-tween the active components of MEMS and the tar-gets associated with AGA.An AGA model was estab-lished in rats by injecting 25 mg/kg of monosodium urate(MSU)suspension into the right ankle joint.Treatment efficacy was evaluated by measuring an-kle joint swelling,gait scores,and inflammation in-dices.Enzyme-linked immunosorbent assay(ELISA)was used to determine the serum levels of TNF-α,IL-6,IL-1β,IL-17,MDA,SOD,and GSH in AGA rats.Hematoxylin and eosin(HE)staining was per-formed to observe the pathological changes in the ankle joint synovial tissue,and Western blotting(WB)was used to analyze the protein levels of NL-RP3 and STAT3 in the synovial tissue.RESULTS:Net-work pharmacology analysis identified quercetin,β-sitosterol,stigmasterol,and wogonin as the core ac-tive components in MEMS for the treatment of AGA.The key therapeutic targets of MEMS in treat-ing AGA include TNF,STAT3,IL-6,and IL-1β.The core active components exhibited strong binding affinity and stable conformations with these tar-gets.The key targets were predominantly enriched in signaling pathways,including NOD-like receptors,IL-17,and TNF.In vivo experiments demonstrated that MEMS effectively reduced ankle joint swelling,improved gait scores,alleviated synovial cell prolif-eration,neutrophil infiltration,and capillary conges-tion in AGA rats.It also lowered the serum levels of TNF-α,IL-1β,IL-6,IL-17,and MDA,while increasing the levels of SOD and GSH.Furthermore,MEMS downregulated the expression of NLRP3 and STAT3 proteins in the synovial tissue.CONCLUSION:MEMS alleviates inflammation and oxidative stress in AGA rats,exerting anti-inflammatory and antioxidative effects.Its mechanism of action may be associated with the modulation of inflammation factor levels via the inhibition of the STAT3/NLRP3 signaling pathway.关键词
急性痛风性关节炎/加味二妙散/网络药理学/分子对接/分子动力学Key words
acute gouty arthritis/modified Er Miao-San/network pharmacology/molecular dock-ing/molecular dynamics分类
医药卫生引用本文复制引用
刘晓绵,郭洪涛,李栋,何小鹃,刘颖,涂文婧,张硕,朱高彦,崔语嫣,崔肖雨,杨一璇,李晓冰..网络药理学与分子对接联合实验验证的加味二妙散抗急性痛风性关节炎机制研究[J].中国临床药理学与治疗学,2026,31(3):313-323,11.基金项目
国家自然科学基金面上项目(82274342) （82274342）
河南省中医药传承与创新人才工程(仲景工程)中医药学科拔尖人才项目(CZ0325-13) （仲景工程）
河南省中医药科学研究专项项目(2023ZXZX1145) （2023ZXZX1145）
河南省科技攻关项目(252102311259) （252102311259）
河南省大学生创新训练项目(202410471043) （202410471043）
河南中医药大学科研苗圃(MP2024-49) （MP2024-49）
河南中医药大学科研苗圃(MP2023-34) （MP2023-34）
