Structure-activity relationships calcium channel blockers

However, the studies on the calcium channel blockers remained centered even today around the l,4-dihydropyridine class. Since this class of compounds can also act as calcium channel activators, attention has always been drawn towards their structure-activity relationship studies. Attempts were made to differentiate in the mechanisms of their agonist and antagonist activities. On the basis of the force field and quantum mechanical calculations, Holtze and Marrer [51] discovered a imique area of the molecular potentials where Ca agonists and antagonists possess potential of opposite sign. These authors demonstrated that the molecular potential of a simple receptor site was reduced by interaction with calciiun channel activators and, on the contrary, increased by interaction with calcium channel blockers. These opposite effects probably could be the basis for the opposite actions of DHP enantiomers at the potential-dependent calcium channel. 

A quantitative structure-activity relationship of 1,4-dihydropyridine calcium channel blockers with electronic descriptors produced by quantum chemical topology... 

Singh, Popelier) where quantitative structure—activity relationships based on different kind of electronic descriptors are applied to challenging systems of calcium channels blockers. 

Gupta SP, Veerman A, Bagaria P. Quantitative structure-activity relationship studies on some series of calcium channel blockers. Mol Divers 2004 8 357-... 

Rovnyak and co-workers performed a detailed pharmacological study with a large set of dihydropyrimidine analogs to better undersfand the structure-activity relationships for Na-functionalized compoxmds with respect to their potential as calcium channel blockers [73]. The authors found that an ortho and/or meta aromatic substitution and the presence of an ester alkyl group at C5 were critical for the in vitro activity of the Biginelli compoxmds tested. The... 

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