How did the QSAR modelling assist in lowering the EC₅₀ of the lead compound being developed to treat people with cystic fibrosis who have the ∆508 CFTR mutation?

Question

How did the QSAR modelling assist in lowering the EC 50  of the lead compound being developed to treat people with cystic fibrosis who have the ∆508 CFTR mutation?

Answer

The QSAR modelling only produced a list of top hits that had lower EC 50  values than the initial VRT-715 lead compound

Answer

The QSAR modelling identified that having an -tBu group at position R4 in the compound was sufficient to lower the EC 50  of the compound, no matter what other chemical groups were chosen for the R6 & X positions

Answer

The QSAR modelling identified that the most crucial change to the VRT-715 compound was having the -tBu chemical group at the R4 & R6 positions in order to lower the EC 50  of the compound

Answer

The QSAR modelling determined important positions with the VRT-715 compound that impacted the EC 50  of the lead compound, before attempting to identify optimal combinations of chemical groups in these positions

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How did the QSAR modelling assist in lowering the EC 50 of the lead compound be...

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