Deciphering the molecular mechanisms of Simiaowan in the treatment of hyperuricemia: in vivo and in silico approaches  

作　　者：Yong-Chang Zeng Jun-Hong Wu Dan-Dan Xu Kang He Chang-Qing Liu Li-Fei Song Zheng-Zhi Wu Qian-Qian Jiang Shao-Yu Liang 

机构地区：[1]Department of Neurology,The First Affiliated Hospital of Shenzhen University,Shenzhen 518020,China [2]Pharmaceutical Department,The Affiliated TCM Hospital of Guangzhou Medical University,Guangzhou 510000,China [3]School of Pharmacy,Guizhou University of Traditional Chinese Medicine,Guiyang 550025,China [4]Guangzhou Zeli Medical Technology Co.,Ltd.,Guangzhou 510700,China

出　　处：《Traditional Medicine Research》2025年第2期37-54,共18页TMR传统医学研究

基　　金：supported by Natural Science Foundation of Guangdong Province(2021A1515010978 and 2021A1515012474);Basic research project of Shenzhen Science and Innovation Commission(JCYJ20210324121610029);Guangdong Provincial Key Areas Research and Development Program project Lingnan TCM Modernization(2020B1111120003).

摘　　要：Background:Simiaowan(SMW),a well-known traditional Chinese medicine,has been employed to treat hyperuricemia(HUA)and gout for centuries.However,the bioactive components and underlying mechanisms have not been elucidated.The objective of this study was to identify the active components and potential mechanisms of SMW by integrating pharmacological experimentation,serum pharmacochemistry,network pharmacology and molecular docking.Methods:HUA rats modelling by high-fat/high-sugar diet and potassium oxonate/adenine oral administration were used to evaluate the pharmacodynamic effects of SMW.UPLC-Q-Exactive-MS/MS was employed to detect the bioactive components present in SMW-containing serum.Network pharmacology and molecular docking were utilized to elucidate the potential targets and underlying mechanisms.Results:SMW effectively ameliorated HUA rats via the inhibition of uric acid(UA)production,promotion of UA excretion,improvement of lipid and glucose metabolic abnormalities,antioxidant,anti-inflammatory and anti-insulin resistance effects.A total of 73 compounds detected in SMW-containing serum were identified as potential active components,with alkaloids,flavonoids,organic acids,and terpenoids emerging as the primary active ingredients.Totally 203 corresponding targets were obtained as SMW anti-HUA/gout targets,which mainly participated in apoptosis,insulin resistance,TNF,PI3K-Akt,HIF-1,NF-κB,MAPK,IL-17 and TLR signaling pathways.Molecular docking indicated that active compounds(e.g.berberine,phellodendrine,quercetin,formononetin,ferulic acid)had superior binding abilities to the key targets(e.g.solute carrier family 22 member 12(URAT1),solute carrier family 22 member 6(OAT1),ATP-binding cassette sub-family G member 2(ABCG2),solute carrier family 2,facilitated glucose transporter member 9(GLUT9),xanthine dehydrogenase/oxidase(XDH),transcription factor p65(RELA),toll-like receptor 4(TLR4),prostaglandin G/H synthase 2(PTGS2),caspase-3(CASP3),insulin(INS)).Conclusion:SMW exerted regulatory influence over the diseas

关 键 词：HYPERURICEMIA network pharmacology serum pharmacochemistry Simiaowan UPLC-Q-Exactive-MS/MS 

分 类 号：R696[医药卫生—泌尿科学]