Quantitative structure-activity relationship studies on some series of calcium channel blockers.
A quantitative structure-activity relationship (QSAR) study has been made on four different series of dihydropyrimidine analogs that mimic the most widely studied class of calcium channel blockers (CCBs)-the 1,4-dihydropyridine (DHP) class. The results show that almost all those characteristics that are essential for the activity of 1,4-DHPs are also essential for the activity of dihydropyrimidine analogs. The important characterstics indicated by the present study for dihydropyrimidine analogs are conformation of the molecule, the relative orientation of the aryl ring with respect to the pyrimidine ring, and some substituents capable of forming the hydrogen bonds with the receptor but less bulky in nature, and high molar refractivity of the molecule.
Gupta
S P
SP
Department of Chemistry, Birla Institute of Technology and Science, Pilani, India. spg@bits-pilani.ac.in
Veerman
Anupriya
A
Bagaria
Priyanka
P
D000818:Animals; D001011:Aorta / Q000187:drug effects; D002118:Calcium / Q000737:chemistry; D002121:Calcium Channel Blockers / Q000737:chemistry* / Q000494:pharmacology; D015220:Calcium Channels / Q000187:drug effects; D004095:Dihydropyridines / Q000737:chemistry*; D006860:Hydrogen Bonding; D020128:Inhibitory Concentration 50; D008956:Models, Chemical; D011188:Potassium / Q000737:chemistry; D021281:Quantitative Structure-Activity Relationship; D011817:Rabbits
D002121:Calcium Channel Blockers; D015220:Calcium Channels; D004095:Dihydropyridines; C038806:1,4-dihydropyridine; D011188:Potassium; D002118:Calcium