天然产物共同药效团导向patriscabratine的抗肿瘤活性

目的基于"天然产物共同药效团"策略探讨天然产物patriscabratine作用靶点,为其深入研究奠定基础。方法通过分子力场分析方法,初步确定与patriscabratine药效结构相似的天然产物aurantiamide acetate为模板分子,鉴于aurantiamide acetate是通过抑制组织蛋白酶L发挥的抗肿瘤活性,进一步基于组织蛋白酶L的晶体结构,利用分子对接方法,探讨两种天然产物与活性腔的作用模式并进行比对。进一步通过抗肿瘤活性验证计算结果。结果与结论经LigandScout软件分析表明两种天然产物作用方式基本一致,抗肿瘤活性结果表明二者的半数抑制浓度相似。初步确定patriscabratine的作用靶点为组织蛋白酶L。

Total synthesis and anticancer activity studies of the stereoisomers of asperphenamate and patriscabratine

All stereoisomers of asperphenamate 1a and patriscabratine 2a were achieved with a high yield,and total synthesis of 2a is firstly described here.The absolute configuration of patriscabratine was determined as(S,S).The compounds 1a-d and 2a-d have been tested by MTT assay in T47D,MDA-MB231,HL60,Hela and SGC-7901 cell lines in vitro.Among them,the(R,S) stereoisomer shows the strongest anticancer effects,while the(S,R) shows the weakest one.

糙叶败酱碱的分离与结构鉴定

目的 研究糙叶败酱 (PatriniascabraBunge)根中的化学成分。方法 用硅胶柱色谱技术进行分离纯化 ,根据理化性质和光谱数据进行结构鉴定。结果 从其脂溶性部位分离得到了 4个化合物 ,分别鉴定为十六烷酸 α 单甘油酯 (I)、齐墩果酸 (II)、槲皮素 (III)、N 苯甲酰基苯丙氨酸 2 乙酰胺基苯丙醇酯 (IV)。结论 所得化合物均为首次从该植物中分得 ,IV为一个新的生物碱 ,命名为糙叶败酱碱 (patriscabratine)。

A New Alkaloid from Patrinia scabra

A new alkaloid has been isolated from the root of Patrinia scabra. Its structure was elucidated as 2'-acetamido-3'-phenyl propyl 2-benzamido-3-phenyl propionate by extensive spectroscopic analysis.