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

Chemical Research in Chinese Universities ›› 2005, Vol. 21 ›› Issue (5): 525-527.

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

YAO Li-xin

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

Received:2004-09-24 Online:2005-09-23 Published:2011-08-06
Supported by:
Supported by the National Natural Science Foundation of China(No.30170808) and the Natural Science Foundation of Guangdong Province(No.010418).

Abstract

Abstract: 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.

Key words: Epristeride, Conformation analysis, Molecular accessibility, Analog

YAO Li-xin. Conformation Analysis and Comparison of Epristeride(17β-N-t-Butylcarboxamide-androst-3,5-diene-3-carboxylic Acid) and Its Analogs[J]. Chemical Research in Chinese Universities, 2005, 21(5): 525-527.

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

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