Skip to main content


Table 9 Designed molecular fragments along with their predicted activities by Topomer CoMFA and HQSAR analysis.

From: In Silico Quantitative Structure-Activity Relationship Studies on P-gp Modulators of Tetrahydroisoquinoline-Ethyl-Phenylamine Series

Molecule number R1 Fragments Predicted Activity  
   Topomer CoMFA HQSAR
28A 6.66 6.62
28B 6.94 6.78
28C 6.74 6.79
28D 6.60 6.52
28E 6.57 6.34
  1. For all designed molecules, the variable part is the R1 fragment.