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• W2040252945 abstract "Abstract X-ray diffraction and ab initio MO theoretical calculations have been used in order to investigate the conformational and electronic properties of a calcium channel blocker of high potency and specificity: SR 33557. SR 33557 is compared to nifedipine, a dihydropyridine calcium antagonist, and to S -Bayk 8644, a dihydropyridine calcium agonist, by molecular infographic methods (least-square superimposition) based on structural results measured by X-ray and on electronic data (atomic charges and molecular electrostatic potentials) computed at the ab initio MO level. Although pharmacological data indicate that SR 33557 and dihydropyridines interact on distinct binding sites, our crystallographic, theoretical and infographic comparative study shows conformational and electronic similarities between those anticalcic compounds." @default.
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• W2040252945 date "1992-08-01" @default.
• W2040252945 modified "2023-09-27" @default.
• W2040252945 title "X-ray crystal structure and electronic properties of SR 33557, a novel calcium channel blocker: reflections on the antagonist activity" @default.
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• W2040252945 doi "https://doi.org/10.1016/0223-5234(92)90182-z" @default.
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