A theoretical study of intermolecular interactions between local anesthetics of the acetanilide series and model ionic channels was performed. A dimer of gramicidine A and melittin were used as models of ionic channels. The geometry of molecules was determined by the method of molecular mechanics. Statistically significant correlation equations were derived, which relate the indices of local anesthetizing activity to the characteristics of intermolecular interactions in the anesthetic-peptide system. A comparative analysis of intermolecular interactions in anesthetic-gramicidine A and anesthetic-melittin systems was carried out.
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