从化学空间探讨荣筋拈痛方补肝肾强筋骨和祛风湿止痹痛的作用

On the Effect of Rongjin Niantong Fang(荣筋拈痛方) to Tonify Liver and Kidney,Strengthen Muscles and Bones and Relieve Rheumatism and Bi from Chemical Space

目的:从化学空间探讨荣筋拈痛方补肝肾强筋骨和祛风湿止痹痛的作用。方法:将荣筋拈痛方分为补肝肾强筋骨药组和祛风湿止痹痛药组,建立其化合物的分子数据集;搜索Drug Bank数据库中骨关节炎治疗相关的刺激关节软骨中蛋白多糖合成以及抗炎镇痛药物,建立其各自的药物分子集。依托定量构效关系平台,分析补肝肾强筋骨药组和刺激关节软骨中蛋白多糖合成药物分子数据集、祛风湿止痹痛药组和抗炎镇痛药物分子数据集的化学空间。结果:荣筋拈痛方分子具有分散的化学空间,且补肝肾强筋骨药物部分化合物与刺激关节软骨中蛋白多糖合成的药物具有相同或相近的化学空间,祛风湿止痹痛药物部分化合物与抗炎镇痛的药物具有相同或相近的化学空间。结论:荣筋拈痛方治疗骨关节炎具有广谱的作用特点,其中,补肝肾强筋骨药物可能具有刺激关节软骨中蛋白多糖合成的作用,而祛风湿止痹痛药物可能具有抗炎镇痛的作用。

Objective:To investigate the effect of Rongjin Niantong Fang(荣筋拈痛方)to tonify liver and kidney,strengthen muscles and bones and relieve rheumatism and bi from chemical space.Methods:Rongjin Niantong Fang was divided into a group for tonifying liver and kidney and strengthening muscles and bones(the TS group)and a group for relieving rheumatism and bi(the RRB group),establishing their molecular data of compounds.Medicinals stimulating proteoglycan synthesis in articular cartilage and antiinflammatory analgesic medicinals related to the treatment of osteoarthritis were searched in the Drug Bank database to establish respective molecule database.Based on quantitative structure-activity relationship platform,the chemical space between the TS group and database on stimulating proteoglycan synthesis in articular cartilage and the chemical space between the RRB group and database on anti-inflammatory analgesic medicinals were analyzed.Results:Molecules in Rongjin Niantong Fang have decentralized chemical space.Part of compounds in medicinals to tonify liver and kidney and strengthen muscles and bones has similar chemical space to medicinals to stimulate proteoglycan synthesis in articular cartilage,and part of medicinals to relieve rheumatism and bi hassimilar chemical space to anti-inflammatory analgesic medicinals.Conclusion:Rongjin Niantong Fang has a broad spectrum effect in the treatment of osteoarthritis,in which medicinals to tonify liver and kidney and strengthen muscles and bones may have theeffect of stimulating proteoglycan synthesis in articular cartilage,while medicinals to relieve rheumatism and bi may have anti-inflammatory and analgesic effects.