越南槐根的抗HIV活性成分研究  

Chemical Constituents with Anti-HIV Activities from the Roots of Sophora tonkinensis

作　　者：魏鑫 张卫 杨欣 王菊 张丽艳 危英 周英 WEI Xin;ZHANG Wei;YANG Xin;WANG Ju;ZHANG Liyan;WEI Ying;ZHOU Ying(Guizhou University of Traditional Chinese Medicine,Guiyang 550025,China)

机构地区：[1]贵州中医药大学,贵阳550025

出　　处：《热带亚热带植物学报》2023年第3期417-423,共7页Journal of Tropical and Subtropical Botany

基　　金：国家重点研发计划项目(2018YFC1708100);贵州省教育厅创新群体项目(KY[2021]018);贵州中医药大学科研创新和探索专项(2018YFC170810208);贵州省科技计划项目(ZK[2023]430)资助。

摘　　要：为研究越南槐(Sophora tonkinensis)根的抗HIV蛋白酶活性成分及其分子对接机制,采用硅胶、MCI、Sephadex LH-20等多种色谱分离方法,对越南槐根的化学成分进行分离,采用HIV蛋白酶对化合物进行体外抗HIV活性筛选,运用分子对接手段初步探究活性化合物与HIV-1蛋白酶的结合机制。结果表明,从越南槐中共分离得到8个化合物,根据波谱数据分别鉴定为三叶豆紫檀苷(1)、苦参碱(2)、N-acetylnicotinamide(3)、2′-O-甲基腺苷(4)、毛蕊异黄酮苷(5)、玫瑰花苷(6)、环广豆根素(7)、芒柄花苷(8),此外还分离得到塑化剂衍生物邻苯二甲酸二(2-乙基)己酯(9)和邻苯二甲酸二异丁酯(10)。抗HIV蛋白酶活性测试显示化合物1和2的IC50分别为13.2和38.6μg/mL,分子对接表明其与HIV蛋白酶有一定的结合作用。化合物3~5为首次从该植物中分离得到,化合物1和2显示中等的抗HIV蛋白酶活性。In order to study the anti-HIV protease activity and molecular docking mechanism of Sophora tonkinensis roots,the chemical constituents from roots were isolated by silica gel,MCI and Sephadex LH-20.HIV protease was used to screen the compounds against HIV in vitro,and molecular docking was used to preliminarily explore the binding mechanism between the active compounds and HIV-1 protease.The results showed that eight compounds were isolated from S.tonkinensis roots.Based on spectral data,their structures were identified as trifolirhizin(1),matrine(2),N-acetylnicotinamide(3),2′-O-methyladenosine(4),calycosin-7-O-β-D-glucoside(5),roseoside(6),sophoranochromene(7),and ononin(8).Besides,two plasticizer derivatives were also obtained as bis(2-ethylhexyl)benzene-1,2-dicarboxylate(9)and disobutyl phthalate(10).The IC50 values of compounds 1 and 2 are 13.2 and 38.6μg/mL,respectively.Molecular docking showed that it had certain binding effect with HIV protease.Compounds 3-5 were isolated from this plant for the first time,while compounds 1 and 2 exhibited moderate anti-HIV activities.

关 键 词：越南槐 化学成分 分离鉴定 抗HIV活性 分子对接 

分 类 号：R284.1[医药卫生—中药学]