In silico PREDICTION, CHARACTERIZATION AND MOLECULAR DOCKING STUDY ON Tetranychus urticae KOCH PROTEINS AS A NOVEL TARGETS TO EXPLORING THE MECHANISM OF MITES DEALING

Tetranychus urticae Koch is phytophagous in nature that can be the reason for major yield losses in many crops, fruits vegetables and ornamentals plants. Thus far, more than 3000 host species have been noted around the world in both outdoor crops and greenhouses. Our study explores the mechanisms of T. urticae dialing to provide a new understanding of the mechanism of controlling this pest including mentha plants (extracts and essential oils) which have an inhibitory effect on T. urticae. Even as mentha plants have been generally used to control T. urticae, in recent years, the interest in pesticides derived from plants has increased considerably as a result of environmental concerns and pest population resistance to conventional pesticides. Some pesticides can be easily produced but to study the mechanisms of their compounds against pests, are comparatively able against pests and with exceptions, their mammalian mortality and determination in the environment are undersized. Thus, the application of plant extracts determined to be a talented alternative plan for pest management, but the mechanism of mentha plants is unfamiliar with the effect of the compounds of extract or essential oils which exert considerable after effects on protein sequence in the T. urticae. So we carried this study to explain and explore the interacting mechanism which lead to the death of the T. urticae. Software's were used to survey plant natural compounds for their binding ability with the T. urticae protein. Docking score for ligands beside each protein was intended to estimate the binding open power. The compounds showed a strong ability to bind with the T. urticae proteins (the Caffeic acid, Cinnamic acid, Ferulic acid, Hesperidin, Naringin, and Rosmarinic acid) were used to predict its docking model and binding regions of T. urticae protein. The highest predicted ligand/protein affinity was with Hesperidin followed by A-Naringin. Molecular docking and protein-protein interaction also showed the probability of the six ligands to bind to the T. urticae proteins and the relationship of the proteins with the vital pathways in the T. urticae. The interaction residues and the binding energy for the bind complexes were identified. The strong binding ability of the six compounds to the T. urticae proteins. The selected proteins participate in vital pathways in the T. urticae confirm our previous study and identify the compounds of extract and essential oils of mentha plants and their interaction and which compounds are responsible for causing the death of the T. urticae.