In Silico Studies of Lamiaceae Diterpenes with Bioinsecticide Potential against Aphis gossypii and Drosophila melanogaster

Abstract

Background: The growing demand for agricultural products has led to the misuse/overuse of insecticides; resulting in the use of higher concentrations and the need for ever more toxic products. Ecologically, bioinsecticides are considered better and safer than synthetic insecticides; they must be toxic to the target organism, yet with low or no toxicity to non-target organisms. Many plant extracts have seen their high insecticide potential confirmed under laboratory conditions, and in the search for plant compounds with bioinsecticidal activity, the Lamiaceae family has yielded satisfactory results. Objective: The aim of our study was to develop computer-assisted predictions for compounds with known insecticidal activity against Aphis gossypii and Drosophila melanogaster. Results and conclusion: Structure analysis revealed ent-kaurane, kaurene, and clerodane diterpenes as the most active, showing excellent results. We also found that the interactions formed by these compounds were more stable, or presented similar stability to the commercialized insecticides tested. Overall, we concluded that the compounds bistenuifolin L (1836) and bistenuifolin K (1931), were potentially active against A. gossypii enzymes; and salvisplendin C (1086) and salvixalapadiene (1195), are potentially active against D. melanogaster. We observed and highlight that the diterpenes bistenuifolin L (1836), bistenuifolin K (1931), salvisplendin C (1086), and salvixalapadiene (1195), present a high probability of activity and low toxicity against the species studied.

Biocontrol Activity of Aromatic and Medicinal Plants and Their Bioactive Components against Soil-Borne Pathogens

“…1107/2009 has been controlling the placement of plant protection products on the market [ 86 ]. This led to the prohibition of several traditional pesticides [ 87 ] and fueled the search for other suitable candidates, including existing and new agrochemicals and more sustainable, economically feasible alternatives that are less dangerous to the environment [ 88 , 89 ]. However, these methods must meet various standards regarding pest specificity, toxicity, pesticide resistance, cost, and availability [ 90 ].…”

Computational Investigation of the Interaction Mechanism of Some anti-Alzheimer Drugs with the Acetylcholinesterase Enzyme

“…In the molecular docking study of Methomyl and 9-(3-phenylmethylamine)-1,2,3,4tetrahydroacridine molecules into AChE receptor (PDB ID:1DX4), Methomyl molecule was found to interact with Trp83, Tyr370, Trp472, Leu479, His480 amino acids and 9-(3-phenylmethylamine)-1,2,3,4-tetrahydroacridine found to interact with Trp83, Gly150, Gly151 ve His480 residues of the AChE receptor [64]. Our findings are consistent with those of Rodrigues et al [64].…”

Chromosomal‐level genome of a sheet‐web spider provides insight into the composition and evolution of venom

“…The evolutionary success of spiders is largely due to the evolution of pharmacologically complex venom that guarantees rapid immobilization for predation and defence (King & Hardy, 2013). The complex mixtures of diverse and selective natural products found in venom have garnered increased interest as potential therapeutics and biopesticide development (Benfatti, 2019; Laxme et al, 2018; Powell et al, 2019; Rodrigues et al, 2021).…”