基于药代动力学信息追踪光叶菝葜和小叶菝葜抗痛风性关节炎药效物质及其构效关系的研究

痛风性关节炎属于中医痹症范畴，临床发病率高，常用的化学药如秋水仙碱、别嘌呤醇等毒副作用大，患者痛苦，目前尚无理想的治疗药物。 文献报导和本课题组的研究结果表明，光叶菝葜和小叶菝葜都具有抗痛风性关节炎的作用，民间使用广泛，效果显著。课题组前期针对小叶菝葜的化学成分进行了系统的研究，分离得到黄酮类和甾体皂苷类等45个化合物，发现了一些新的化合物。 本研究拟通过"药效筛选- - -药代动力学过程- - -活性单体化合物- - 明晰构效关系"四个步骤，在系统分离鉴定光叶菝葜和小叶菝葜的有效物质基础上，以药代动力学过程中入血移行成分为依据，追踪抗痛风性关节炎的有效单体化合物，并采用计算化学的方法构建药效团。 本研究将为选择新型的抗痛风性关节炎药物研究提供先导化合物，同时也为设计活性更强的先导化合物提供重要理论基础。

The gouty arthritis is a type of Traditional Chinese medicine "arthralgia" category, and the clinical incidence rate is high,Chemical drugs with toxic side effect such as colchicin, allopurinol and so on are used to treat the disease, and the patients are anguished. There is no ideal curative drug now. Reported in the literature and the results of our research show that the Smilax glabra Roxb and Smilax microphylla have the effect on gouty arthritis. They are widely used in fork, and the effect is significant. The research group has investigated on the chemical constituents of Smilax microphylla systematically. Frty five compounds such as flavonoid and steroid saponin were separated from Smilax macrophylla, and some new compounds were found. This study will be carried out by a four-step "Pharmacodynamic screening- - -Pharmacokinetics process- - -active monomer compounds- - -clearing structure-activity relationship". On the basic of chemical effective constituents separated and identified systematically from Smilax glabra Roxb and Smilax microphylla and based on the constituents absorbed into blood during the pharmacokinetic process, the effective monomer compounds of anti-goutyarthritis will be tracked, and the method of computational chemistry is applied to build pharmacophore. The study will provide lead compound for the research of selecting a new type of anti-gout arthritis drug, also provide important theoretical basis for the design of the plan of more active lead compounds.