[Mathematical modeling of the interaction of local anesthetics with the surface of nerve fiber biomembranes].
Theoretical analysis and mathematical modelling of conductor anesthesia has been performed. It has been established that mathematical models explicity taking into account the form and the size of molecules (through molar volumes) and the energy of intermolecular interaction with biomembrane surface of a nerve fiber (through normal boiling temperatures) are the most close to electrophysiology data obtained by measuring of minimal blocking concentrations of anesthetics in inter- or intracell solutions, causing complete isolation of a pain spike in the fiber. Computation based on an improved additive systematics produced physical-chemical descriptors for construction of mathematical models. The determined parameters conform to experimental data in crucial features molar volumes and normal boiling temperatures for analyzed compounds. Predictions possibilities and restrictions of suggested approach for search for new effective anesthetics and structures with higher indices of biological activity has been analyzed.
Isaeva
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GA
Isaev
P P
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D000779:Anesthetics, Local / Q000494:pharmacology*; D002462:Cell Membrane / Q000187:drug effects; D008962:Models, Theoretical; D009412:Nerve Fibers / Q000187:drug effects*
D000779:Anesthetics, Local
Matematicheskoe modelirovanie vzaimodeĭstviia lokal'nykh anestetikov spoverkhnost'iu biomembrany nervnogo volokna.