清肺消炎丸基于炎症相关靶点的计算药理学研究  

Computational Pharmacology Study of Qingfei Xiaoyan Pill Based on Anti-inflammatory Mechanism

作　　者：史海龙[1] 马婷[1] 李贤杨 王瑞辉[1] 郭新荣[1] 

机构地区：[1]陕西中医药大学,陕西咸阳712046

出　　处：《辽宁中医药大学学报》2016年第8期86-90,共5页Journal of Liaoning University of Traditional Chinese Medicine

基　　金：陕西省自然科学基础研究计划项目(2013JK0779);国家级大学生创新创业训练计划项目(201410716001)

摘　　要：目的:研究清肺消炎丸化学成分抗炎相关靶点的作用,并在分子层面上阐释了多靶点效应。方法:借助与计算机辅助药物设计相关技术(以分子对接为主),探讨该复方化合物与炎症相关靶标间作用关系。结果:清肺消炎丸含有17个具有高生物利用度及类药性良好的化合物,其化学成分对环氧合酶-2(COX-2)、3α-羟基类固醇脱氢酶(3α-HSD)、磷脂酶A2(Phospholipase A2)、细胞色素p450-cam(CYP450-cam)、外膜磷脂酶(OMPLA)、对羟基苯甲酸羟化酶(PHBH)等多个靶点起作用。结论:该实验从分子层次上阐述了该复方在炎症治疗方面的计算药理学和化合物多靶点作用,研究为揭示清肺消炎丸缓解哮喘的作用机制提供了依据。Objective：Clarify out the anti-inflammatory mechanism of Qingfei Xiaoyan Pill,and explained its multi-targets effect on the molecular level. Methods：Using computer aided drug design related technology（molecular docking technology based）,to explore the relationship between the compounds in Qingfei Xiaoyan Pill and inflammation related targets. Results：Qingfei Xiaoyan Pill contained 17 compounds with high oral bioavailability and good drug-like index. 17 compounds have interaction with multiple target points,such as COX-2,3α-HSD,phospholipase A2,CYP450-cam,OMPLA and PHBH. Conclusion：The experiment described computational pharmacology of Qingfei Xiaoyan Pill treating inflammation and multiple targets of compound in Qingfei Xiaoyan Pill.

关 键 词：清肺消炎丸 计算药理学 分子对接 

分 类 号：R285[医药卫生—中药学]