Conformation Analysis and Comparison of Epristeride(17β-N-t-Butylcarboxamide-androst-3,5-diene-3-carboxylic Acid) and Its Analogs  

作　　者：YAO Li-xin 

机构地区：[1]Lab of Molecular Drug Design, Key Laboratory of Controlled Release of Guangdong Province,Institute of Materia Medica, Guangdong College of Pharmacy, Guangzhou 510240, P. R. China

出　　处：《Chemical Research in Chinese Universities》2005年第5期525-527,共3页高等学校化学研究（英文版）

基　　金：Supported by the National Natural Science Foundation of China(No. 30170808) and the Natural Science Foundation of Guang-dong Province(No. 010418).

摘　　要：Conformations of Epristeride（ 17-β-N-t-butylcarboxamide-androst-3,5-diene-3-carboxylic acid） and its analogs were analyzed with the random search method and compared by means of the methods for steroid conformers, Connolly surfaces, dihedral angles, and molecular accessibility probes with protons, hydroxyl and methyl groups contained simultaneously. Analog d is different from others, which is in accordance with the preliminary clinical trial results under double blind conditions.Conformations of Epristeride（ 17-β-N-t-butylcarboxamide-androst-3,5-diene-3-carboxylic acid） and its analogs were analyzed with the random search method and compared by means of the methods for steroid conformers, Connolly surfaces, dihedral angles, and molecular accessibility probes with protons, hydroxyl and methyl groups contained simultaneously. Analog d is different from others, which is in accordance with the preliminary clinical trial results under double blind conditions.

关 键 词：Epristeride Conformation analysis Molecular accessibility Analog 

分 类 号：O623.411[理学—有机化学]