A 3D-QSAR Study on a Novel Chromanol Class of I_ (Ks) Potassium Channel Blockers
Lin Du · 2005
Aim and Method A novel three-dimensional quantitative structure-activity relationship (3D-QSAR) method, self-organizing molecular field analysis (SOMFA), was used to investigate the correlation between the molecular properties and a class of chromanol analogs as I_ Ks blockers. Results The cross-validated correlation coefficient q2 values (0.698) and non cross-validated correlation coefficient r2 values (0.701) proved a good conventional statistical correlation. Conclusion The final SOMFA model has therefore good predictive activity for the further molecular design of chromanol I_ Ks potassium channel blockers.