3D QSAR models using comparative molecular field analysis (CoMFA) and comparative molecular similarity analysis (CoMSIA) were built on a training set of 19 previously described inhibitors of acetyl-CoA:cholesterol O-acyl transferase (ACAT) with a IC50 ranging from 47 nM to 200 μM. The models thus obtained were found to be predictive as shown by correct prediction of the inhibitory activity of a set of recently published compounds.
3D-QSAR study of new acetyl-COA:cholesterol O-acyl transferase (ACAT) inhibitors
Guccione S.;
2000-01-01
Abstract
3D QSAR models using comparative molecular field analysis (CoMFA) and comparative molecular similarity analysis (CoMSIA) were built on a training set of 19 previously described inhibitors of acetyl-CoA:cholesterol O-acyl transferase (ACAT) with a IC50 ranging from 47 nM to 200 μM. The models thus obtained were found to be predictive as shown by correct prediction of the inhibitory activity of a set of recently published compounds.File in questo prodotto:
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