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作 者:谭畅[1] 刘伟峰 何洁茹[1] 邓金凤[1] 韦少辉[1] 申坚[1] 罗海彬[3] 林昌松[4] 莫穗林[1]
机构地区:[1]中山大学附属第一医院东山院区,广东广州510080 [2]广州市越秀区黄花岗街社区卫生服务中心,广东广州510075 [3]中山大学药学院,广东广州510000 [4]广州中医药大学,广东广州510405
出 处:《深圳中西医结合杂志》2010年第2期65-69,共5页Shenzhen Journal of Integrated Traditional Chinese and Western Medicine
基 金:广州市越秀区科技局资助项目(2006-WS-005)
摘 要:目的:探讨加味防己茯苓汤治疗类风湿性关节炎(RA)的分子机理。方法:建立中药复方的化学成分数据库,选择RA关键的细胞因子IL-6及TNF-α,运用计算机分子对接技术进行对接;结果:在加味防己茯苓汤8种中药的所有活性成分中,Vicenin-2、异鼠李素和胡萝卜苷与IL-6的结合活性较好,Vicenin-2、胡萝卜苷和防己诺林碱与TNF-α的结合活性较好。其作用机理与相应的内源性配体相似。结论:加味防己茯苓汤治疗RA的分子机理涉及其中复杂的多组分多靶点的作用机理,利用计算机分子对接技术,可以便捷地探讨中药复方复杂的作用机理。Objective To study the molecular mechanism of rheumatoid arthritis (RA) treated with Jia- Wei-Fang-Ji-Fu-Ling-Tang. Methods After setting up a database of chemical composition from the chinese herbal compound formula, computational approach was applied for the molecular docking with interleukin-6 ( IL-6 ) and tumor necrosis factor-a ( TNF-a ) in the database. Results Vicenin-2, isoquercetin and daucosterol are presented more potential activity combining with IL-6, while vicenin-2, daucosterol and angchinoline are showed more active conjugational property with TNF-a. They all shared similar conjugational mechanism of coresponding endogenous ligand. Conclusion Mutiple ingredients and multiple targets were involved in the molecular mechanisms of RA treated with selected formula. The present study also suggested a novel approach to understanding the complicated mechanisms of traditional formulae in silico.
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