In silico assessment of insecticidal actvity of essential oil compounds of two north african endemic species thymus algeriensis and thymus numidicus

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Bioinformatics, or in silico biology, is a rapidly growing field that encompasses the theory and application of computational approaches to model, predict, and explain biological function at the molecular level. This information rich field requires new skills and new understanding of genome-scale studies in order to take advantage of the rapidly increasing amount of sequence, expression, and structure information in public and private databases. Research in biology can not currently do without computer tools to process the data produced and optimize its advances. One of these tools is molecular modeling and more specifically molecular stowage (more commonly known as "docking"). The initial use of molecular "docking" was to predict and reproduce protein-ligand complexes. Docking is the basis for molecular recognition and the type of interaction. Our work consists in studying the insecticidal activity of major compounds of the essential oil of thymus algeriensis and thymus numidicus ,by the bioinformatic approach for the study of protein-ligand interaction in silico of four proteins (Drosophila melanogaster acetylcholinesterase, Bombyx mori sigma-class glutathione transferase, Ostrinia furnacalis group I chitinase catalytic domain and Drosophila melanogastercentral nervous system glutamate receptor). The in silico approach and the in vitro studies are complementary, so major compounds of the essential oils of thymus algeriensis and thymus numidicus have a weak insecticidal activity.