MFTA Models in Biotarget and Drug Action Analysis

1 MFTA Models in Biotarget and Drug Action Analysis 

In a sense, the MFTA model is just the beginning of a road to better active compounds and a deeper understanding of the activity. Let us consider some ways in which it can be helpful. 

First of all, the coefficients of the back-rotated PLSR model may be transformed into the normalized descriptor impacts according to Equation (5.4)  

Molecular supergraph for a series of tetrahydroimidazobenzodiazepinone (TIBO) derivatives with superimposed structure of a representative training set compound. 

In a study of non-peptide inhibitors of the measles virus entry the findings from the MFTA model were also consistent with the 3D molecular model of the binding site of virus fusion protein. In addition, they suggest the structural modifications to improve the activity. Similar results were obtained in a study of structure-activity and structure-selectivity relationships for anticholinesterase O-phosphorylated oximes.  

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