Effect of Polyphenolic Compounds of Rosa Canina (L.) against the Acetylcholinesterase Activity of Rhopalosiphum Padi (L.) (Homoptera: Aphididae)

Abstract

Rhopalosiphum padi (L.) is among the most aggressive cereal pests worldwide. The pest causes economically heavy crop loss. Chemical insecticides were used for the control of multiple insects. However, the harmful consequences of these chemical products are well known. Seeking more ecological alternatives, respect to the environment is, therefore, a necessity. The phytochemicals are known for their various biological activities of pharmaceutical and agri-food interest. Several plant species have been found to have effective bioinsecticide properties against a variety of insects. In this study, the plant Rosa canina (L.) has made the objective of an in-silico research using molecular docking by screening the inhibitory potential of its polyphenolic compounds against the enzyme acetylcholinesterase of R. padi (L.). The enzyme 3D structure was first modeled, then its stereochemical quality was validated. The result of molecular docking allowed the selection of seven phytocompounds (Ellagic acid, Dihydroquercetin, Bilobalide A, Luteolin 5-methyl ether, Rosmarinic acid, Kaempferol, and Quercetin) with binding energy lower than that of the commercial insecticide Malathion. These components showed intense links with the catalytic site key residues of the enzyme, indicating their high inhibitor potential. The environmental and health safety of these components and their bio-Availability were also validated by the verification of several pharmacokinetic and ADMET criteria, suggesting the interest of the plant R. canina (L.) as promising bioinsecticide material against the pest R. padi (L.).