کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1399885 | 1501217 | 2008 | 6 صفحه PDF | دانلود رایگان |
3D-QSAR analysis of a set of 37 analogues of SCH 66336 (Sarasar) was performed by most widely used computational tool, molecular field analysis (MFA) to investigate the substitutional requirements for the favorable receptor-drug interaction and to derive a predictive model that may be used for the designing of a novel farnesyltransferase inhibitors (FTIs). Regression analysis was carried out using genetic partial least squares (G/PLS) method. A highly predictive and statistically significant model was generated. The predictive ability of the model developed was assessed using a test set of six compounds (r2pred as high as 0.791). The analyzed MFA model has demonstrated a good fit, having r2 value of 0.967 and cross-validated coefficient r2cv value as 0.921.
Molecular field analysis (MFA) has been performed on farnesyltransferase inhibitors (FTIs) to investigate the substitutional requirements for the favorable receptor-drug interaction and to derive a predictive model. Figure optionsDownload as PowerPoint slide
Journal: European Journal of Medicinal Chemistry - Volume 43, Issue 1, January 2008, Pages 204–209