Seven oleanene triterpenes were isolated from the roots of Potentilla discolor Bge and their structures were identified as 3-oxoolean-12-en-27-oic acid（1）, gypsogenic acid（2）, 3α-hydroxyolean-12-en-27-oic acid（3...Seven oleanene triterpenes were isolated from the roots of Potentilla discolor Bge and their structures were identified as 3-oxoolean-12-en-27-oic acid（1）, gypsogenic acid（2）, 3α-hydroxyolean-12-en-27-oic acid（3）, 3β-hydroxyolean-12-en-27-oic acid（4）, aceriphyllic acid A（5）, aceriphyllic acid A methyl ester（6）, and oleanolic acid（7）. Compounds 1–7 inhibited protein tyrosine phosphatase 1B（PTP1B） activity, with IC50 values ranging from（7.5±0.5） to（22.7±0.5） μmol/L. Among the isolates, compounds 1, 2, 3 and 7 from the Potentilla discolor Bge were found to exhibit selective PTP1 B inhibitory activity.展开更多
目的:设计蛋白酪氨酸磷酸酯酶1B(PTP1B)抑制剂。方法:利用ChemOffice 2008绘制出70个具有咪唑烷二酮结构母核的小分子化合物平面结构,然后利用Schrodinger Suite 2007构建小分子化合物库、蛋白结构优化、分子对接。结果:分子对接研究表...目的:设计蛋白酪氨酸磷酸酯酶1B(PTP1B)抑制剂。方法:利用ChemOffice 2008绘制出70个具有咪唑烷二酮结构母核的小分子化合物平面结构,然后利用Schrodinger Suite 2007构建小分子化合物库、蛋白结构优化、分子对接。结果:分子对接研究表明,设计的小分子化合物大部分对接得分优于原始配体,都可与活性位点底部和顶部的残基形成氢键,而原始配体只能与活性位点顶部的残基形成氢键。结论:设计小分子与PTP1B的结合能力理论上优于原始配体。展开更多
An organic layer prepared from the seed of Aceriphyllum rossii was studied to identify the active compounds for protein tyrosine phosphatase 1B（PTP1B） inhibition.Bioassay guided fractionation resulted in the isolati...An organic layer prepared from the seed of Aceriphyllum rossii was studied to identify the active compounds for protein tyrosine phosphatase 1B（PTP1B） inhibition.Bioassay guided fractionation resulted in the isolation of PTP1B inhibitory activity of triterpenes（1-4）.These four compounds were identified as aceriphyllic acid C（1）,aceriphyllic acid D（2）,aceriphyllic acid E（3） and aceriphyllic acid F（4）.The isolated 1-4 compounds inhibited PTP1B with IC50 values ranged from（2.1±1.5） μmol/L to（11.2±2.5） μmol/L.Kinetic analysis of PTP1B inhibition by aceriphyllic acid C（1） and aceriphyllic acid D（2） suggested that oleanane-type triterpenes inhibited PTP1B activity in a mixed-type manner.展开更多
基金Science and Technology Development Program of Jilin Province(Grant No.20150101225JC)
文摘Seven oleanene triterpenes were isolated from the roots of Potentilla discolor Bge and their structures were identified as 3-oxoolean-12-en-27-oic acid（1）, gypsogenic acid（2）, 3α-hydroxyolean-12-en-27-oic acid（3）, 3β-hydroxyolean-12-en-27-oic acid（4）, aceriphyllic acid A（5）, aceriphyllic acid A methyl ester（6）, and oleanolic acid（7）. Compounds 1–7 inhibited protein tyrosine phosphatase 1B（PTP1B） activity, with IC50 values ranging from（7.5±0.5） to（22.7±0.5） μmol/L. Among the isolates, compounds 1, 2, 3 and 7 from the Potentilla discolor Bge were found to exhibit selective PTP1 B inhibitory activity.
文摘目的:设计蛋白酪氨酸磷酸酯酶1B(PTP1B)抑制剂。方法:利用ChemOffice 2008绘制出70个具有咪唑烷二酮结构母核的小分子化合物平面结构,然后利用Schrodinger Suite 2007构建小分子化合物库、蛋白结构优化、分子对接。结果:分子对接研究表明,设计的小分子化合物大部分对接得分优于原始配体,都可与活性位点底部和顶部的残基形成氢键,而原始配体只能与活性位点顶部的残基形成氢键。结论:设计小分子与PTP1B的结合能力理论上优于原始配体。
基金The Scientific Research Foundation for the Returned Overseas Chinese Scholars(Grant No.20091590)State Education Ministry and Key Laboratory of Natural Resources of Changbai Mountain & Functional Molecules(Yanbian University),Ministry of Education,China(Grant No.201003)
文摘An organic layer prepared from the seed of Aceriphyllum rossii was studied to identify the active compounds for protein tyrosine phosphatase 1B（PTP1B） inhibition.Bioassay guided fractionation resulted in the isolation of PTP1B inhibitory activity of triterpenes（1-4）.These four compounds were identified as aceriphyllic acid C（1）,aceriphyllic acid D（2）,aceriphyllic acid E（3） and aceriphyllic acid F（4）.The isolated 1-4 compounds inhibited PTP1B with IC50 values ranged from（2.1±1.5） μmol/L to（11.2±2.5） μmol/L.Kinetic analysis of PTP1B inhibition by aceriphyllic acid C（1） and aceriphyllic acid D（2） suggested that oleanane-type triterpenes inhibited PTP1B activity in a mixed-type manner.
