茯苓三萜类成分利水作用的虚拟筛选  

Virtual Screening of Hydrophilic Effect of Triterpenoids from Poria Cocos

作　　者：倪文娟[1] 俞松林[1] 张莉华 刘福和[1] 崔明超[1] 陈少军[1] NI Wenjuan;YU Songlin;ZHANG Lihua;LIU Fuhe;CUI Mingchao;CHEN Shaojun(Zhejiang Pharmaceutical College,Ningbo,Zhejiang,China 315100)

机构地区：[1]浙江医药高等专科学校

出　　处：《中国药业》2019年第11期40-43,共4页China Pharmaceuticals

摘　　要：目的探讨茯苓三萜类利水成分的虚拟筛选技术。方法选取39种茯苓三萜类成分作为配体,选取3种水通道蛋白AQP1,4,5作为靶蛋白,采用PyRx0.8软件autodock vina模块进行筛选。结果在39个茯苓三萜化合物中,去氢松香酸甲酯分别与AQP1,4,5结合的活性较强。结论去氢松香酸甲酯可能是茯苓利水健脾的活性物质。Objective To investigate the virtual screening technology of hydrophilic components of triterpenoids from Poria cocos.Methods Totally 39 triterpenoids from Poria cocos were selected as ligands,three water-channel proteins(AQP1,4,5}were selected as target proteins and screened by the autodock vina module of PyRx0.8 software.Results Among 39 triterpenoids of Poria cocos,the methyl ester of dehydrorosin was highly active in binding AQP1,4,5,respectively.Conclusion The methyl ester of dehydroabietic may be an active substance of Poria cocos for regulating water and invigorating spleen.

关 键 词：茯苓 三萜 水通道蛋白 去氢松香酸甲酯 虚拟筛选 

分 类 号：R932[医药卫生—生药学] R285.5[医药卫生—药学]