Docking studies of biologically active substances from plant extracts with anticonvulsant activity

Abstract

Virtual screening methods are promising and useful to design new herbal remedies to satisfy the numerous clinical needs. Major problem for extensive use of herbs is the lack of information concerning mechanisms of their action. In the previous pharmacological studies using different models of seizures, it was found that some members of the Solanaceae, Fumariaceae, Lamiaceae, Oleaceae, Viscaceae, and Betulaceae families show a high level of anticonvulsant properties but the role of individual components of these herbs in the realization of antiepileptic activity remains unknown. The aim of the present research was molecular docking of compounds identified in the studied herbs to find the binding mechanism with the suitable targets. The study resulted that the given herbal individual substances did not show any potential anticonvulsant properties. Anticonvulsant activity of the studied herbs is probably due to the fact that in contrast to individual substances they are characterized by a complex chemical composition and synergism of biologically active compounds.