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首页> 外文期刊>Phytotherapy research: PTR >Bioactivity-guided isolation of antiproliferative diterpenoids from Euphorbia kansui
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Bioactivity-guided isolation of antiproliferative diterpenoids from Euphorbia kansui

机译：甘肃大戟抗增殖性二萜的生物活性指导分离

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摘要

Cytotoxic assay guided multistep separation on the dichloromethane extract of the roots of Euphorbia kansui resulted in the isolation of 10 ingenol-type diterpenoids (1-4 and 7-12), of which, 5-O-(2'E,4'E-decadienoyl)-20-O- acetylingenol (1) is a new compound, and two are jatrophane-type diterpenoids (13-14). Interconversion of two pairs of positional ester isomers (1-4) in aqueous alcoholic solution was observed, the transesterification mechanism of which was speculated and confirmed by acylation of 3 and 4 to 6 and 5, respectively. All the isolates and the two acyl derivatives (5 and 6) were evaluated in vitro for their cytotoxicities in Bel-7402, Bel-7402/5FU, BGC-823 and SGC-7901 cell lines. The 12 ingenol-type diterpenoids exhibited weak to moderate cytotoxicities, whereas the two jatrophane-type diterpenoids displayed no antiproliferative effects, which, however, may increase the antitumour efficacy of those ingenol-type diterpenoids. The structure - activity relationships were investigated by principal component analysis (PCA) of the pIC _(50) (-logIC _(50)) values of the compounds tested and their calculated molecular descriptors. The pIC _(50) values were highly correlated with most descriptors, especially the highest occupied molecular orbital energy (E HOMO), absolute hardness (η) and positively charged solvent accessible surface areas (P-ASA). As the values of E HOMO increase, η and P-ASA decrease, and the antiproliferative effects of these compounds increase.
机译：细胞毒性试验指导对甘蓝大戟根的二氯甲烷提取物进行多步分离，分离出10种长春黄菊型二萜（1-4和7-12），其中5-O-（2'E，4'E -癸二烯酰基）-20-O-乙酰ingenenolol（1）是一种新化合物，其中两个是麻疯树素型二萜（13-14）。观察到两对在醇水溶液中的位置酯异构体（1-4）的相互转化，推测了其酯交换反应机理，并通过分别将3和4至6和5酰化来证实。体外评估了所有分离物和两种酰基衍生物（5和6）在Bel-7402，Bel-7402 / 5FU，BGC-823和SGC-7901细胞系中的细胞毒性。 12种丁香酚型二萜类化合物显示出弱至中度的细胞毒性，而两种麻疯子型二萜类化合物均未显示出抗增殖作用，然而，这可能会增加这些丁香酚型二萜类化合物的抗肿瘤功效。通过主成分分析（PCA）对所测试化合物的pIC _（50）（-logIC _（50））值及其计算的分子描述符进行了研究，研究了结构与活性之间的关系。 pIC_（50）值与大多数描述符高度相关，尤其是最高占据分子轨道能量（E HOMO），绝对硬度（η）和带正电的溶剂可及表面积（P-ASA）。随着E HOMO值的增加，η和P-ASA降低，并且这些化合物的抗增殖作用增强。

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