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Original Article



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

Yuliya S. Prokopenko, Lina O. Perekhoda, Victoriya A. Georgiyants.




Abstract
Cited by 12 Articles

Virtual screening methods are promising and useful to design new herbal remedies to satisfy the numerous clinical needs. One of the main problems for wider clinical application of herbs is the absence of information about 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 high level of anticonvulsant properties, but the role of individual components of these herbs in 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 herbal extracts consist of a complex mixture of active compounds, concomitant agents, as well as other minor substances.

Key words: Molecular docking, Herbs, Anticonvulsant Activity, Individual Substances






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