QSAR Studies on ABC Transporter - How to Deal with Polyspecificity

QSAR Studies on ABC Transporter - How to Deal with Polyspecificity 

QSAR Approaches to Design Inhibitors of P-glycoprotein (ABCB1) 

This relative loss of activity might be either due to a decrease in the flexibility ofthe molecules or due to the loss of the C=O group as H-bond acceptor. Systematic variations of the C=O group finally showed that the latter seems to be the case [14], 

In the latter case, a third H-bond acceptor might be located in between the two primary electron donating groups. 

Further proof of the negative influence of large substituents in close vicinity of the nitrogen atom has been obtained by CoMFA and CoMSIA analyses using a set of 131 

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