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- W1976244543 abstract "In this study we present ab initio Hartree Fock molecular orbital calculations with complete geometry optimizations on some phenylalkylamines (PAAs) that are clinically used as antiarrhythmic drugs. Pharmacophoric features of PAAs have been derived. An explanation of potency regulation in PAAs has been suggested based on ion capturing vs. ion holding by the drug. Ion capturing by the drug is always electrostatically highly favourable but has to be analysed in terms of conformational changes required and physiological accessibility of the situation. Our results also seem to offer an explanation for inhibitory effect of Ca2+ ion concentration on binding affinity of PAAs." @default.
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- W1976244543 date "2007-09-01" @default.
- W1976244543 modified "2023-09-25" @default.
- W1976244543 title "Phenylalkylamines as calcium channel blockers" @default.
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- W1976244543 doi "https://doi.org/10.1007/s12039-007-0071-z" @default.
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