Structural Features of the Binding Site for Diphenin and other Anticonvulsants belonging to the Group of Sodium Channel Blockers

Abstract

Quantum-mechanical calculations of the structural parameters of the binding site of receptor proteins for diphenin and other anticonvulsants, whose mechanism of action is based on sodium channel blocking, have been performed using the AM-1 method. A learning set for the theoretical conformation analysis of the binding site structure has been selected and the calculations have been performed taking into account the known general requirements on the structure of anticonvulsants. 488 0091-150X/05/3909-0488