Nontoxic and Naturally Occurring Active Compounds as Potential Inhibitors of Biological Targets in Liriomyza trifolii

Abstract

In recent years, novel strategies to control insects have been based on protease inhibitors (PIs). In this regard, molecular docking and molecular dynamics simulations have been extensively used to investigate insect gut proteases and the interactions of PIs for the development of resistance against insects. We, herein, report an in silico study of (disodium 5′-inosinate and petunidin 3-glucoside), (calcium 5′-guanylate and chlorogenic acid), chlorogenic acid alone, (kaempferol-3,7-di-O-glucoside with hyperoside and delphinidin 3-glucoside), and (myricetin 3′-glucoside and hyperoside) as potential inhibitors of acetylcholinesterase receptors, actin, α-tubulin, arginine kinase, and histone receptor III subtypes, respectively. The study demonstrated that the inhibitors are capable of forming stable complexes with the corresponding proteins while also showing great potential for inhibitory activity in the proposed protein-inhibitor combinations.

Macaronesian Plants as Promising Biopesticides against the Crop Pest Ceratitis capitata

“…It should be noted that quercetin and myricetin were reported to interfere with the cytochrome P-450-dependent ecdysone 20-mono-oxygenase activity, important for molting and development in insect species such as Aedes aegypti , Drosophila melanogaster and Manduca sexta, affecting the viability of insect organisms, and being proposed by the authors of the paper as having potential as biopesticides [ 32 ]. Myricetin 3′-glucoside and myricetin hyperoside were also found by an in silico study to interfere with insect acetylcholinesterase receptors, actin, α-tubulin, arginine, kinase and histone receptor III subtypes, being capable of forming stable complexes with these proteins and inhibiting their activity [ 33 ]. The potential of quercetin in insect control is more frequently mentioned, namely as an oviposition deterrent of Bactrocera dorsalis and B. correcta [ 34 ], as an inhibitor of phenoloxidase from Hyphantria cunea (Lepidoptera: Arctiidae), a key enzyme in the development and immunity of insects [ 35 ], in the inhibition of the growth rate of cabbage looper Trichoplusia ni (Lepidoptera: Noctuidae) [ 36 ], and against the growth and development of the grasshopper Oedaleus asiaticus [ 37 ].…”