摘要
目的:从化合物-靶点作用网络的角度,探讨羌活在治疗骨关节炎关节疼痛中的作用,从而揭示其抗炎镇痛作用。方法:从北京大学天然产物库中搜索羌活的化学成分,建立羌活化合物的分子数据集;以白细胞介素-1β、白细胞介素-6、肿瘤坏死因子-α和诱导型一氧化氮合酶为骨关节炎疼痛的治疗靶点,利用分子对接和生物网络技术,构建羌活化合物-抗炎镇痛靶点作用网络,分析羌活抗炎镇痛的作用特点。结果:羌活抗炎镇痛的活性成分有32个化合物,主要为香豆素苷类和有机酸类;约59.38%的化合物能作用于1个靶点,仅有9.38%的化合物能作用≥3个靶点,其作用关系曲线遵循幂函数p(k)=k-1.96233规律,反映了羌活抗炎镇痛存在"一对多,多对一"的非线性特点。结论:化合物-靶点作用网络直观显示了羌活的抗炎镇痛作用,并且,网络中的化合物为今后进一步的实验验证和骨关节炎关节疼痛治疗新药研发提供参考。
Objective：To explore the role of qianghuo （Notopterygium inchum Ting ex H,T. Chang ） in the treatment of osteoarthritis from the compound-target network perspective so as to reveal its anti-inflammatory and analgesic effects.Methods：The chemical constituents of qianghuo were searched from the natural product library of Peking University to establish the molecular data sets of qianghuo compounds. Taking interleukin-1 ~,interleukin-6,tumor necrosis factor-ct and inducible nitric oxide synthase as therapeutic targets for pain in osteoarthritis and using molecular docking and biological network technology, a qianghuo compound-anti-inflammatory and analgesic target network was established to analyze the anti-inflammatory and analgesic effects of qianghuo.Results：There were 32 compounds in qianghuo as the active ingredients with anti-inflammatory and analgesic effects,which were mainly coumarin glycosides and organic acids. Approximately 59.38% of the compounds could act on one target and only 9.38% of the compounds could act on more than 3 targets.The correlation curves followed the power function p （ k ） -- k-196233,which reflected that the analgesic and anti-inflammatory effects of qianghuo had the nonlinear characteristics of ＂one to many, many to one＂.Condnsion：Compound-target network intuitively shows the anti-inflammatory and analgesic effects of qianghuo,and compounds in the network provide reference for further experimental verification and drug development for the treatment of osteoarthritic pain.
出处
《风湿病与关节炎》
2017年第8期10-14,共5页
Rheumatism and Arthritis
基金
陈可冀中西医结合发展基金课题(CKJ2015010)
关键词
骨关节炎
羌活
抗炎镇痛
化合物-靶点作用网络
痹证
osteoarthritis
qianghuo
anti-inflammatory and analgesic effects
compound target network
bi syndrome
