کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1397880 | 1501194 | 2009 | 6 صفحه PDF | دانلود رایگان |
Steroidal 5α-reductase is a NADPH dependent enzyme that catalyzes the irreversible conversion of 4-en-3-oxo-steroid testosterone to the corresponding 5α-H-3-oxo-steroid dihydrotestosterone thus involved in Benign Prostatic Hyperplasia (BPH). As the crystal structure of target enzyme is not available; we have carried out ligand based designing using Self Organizing Molecular Field Analysis (SOMFA). SOMFA, a novel 3D-QSAR methodology used in present case to study the correlation between molecular properties and human 5α-reductase inhibitory activities of a series of unsaturated 3-carboxysteroid. The statistical results, good cross-validated r2cv (0.693) and non cross-validated r2 (0.732), showed satisfied predictive ability. All analysis of SOMFA model may provide some useful information in the design of human steroidal 5α-reductase inhibitors with better spectrum of activity.
Self Organizing Molecular Field Analysis, a 3D-QSAR methodology was employed to study the correlation between the molecular properties and the human 5a-reductase inhibitory activities of a series of unsaturated 3-carboxysteroid.Figure optionsDownload as PowerPoint slide
Journal: European Journal of Medicinal Chemistry - Volume 44, Issue 12, December 2009, Pages 4920–4925