Editing Plant Volatile Isoeugenol for Integrated Aphid Management: Discovering Ecofriendly Insect Behavioral Regulators with Push-Pull Activity Targeting Odorant-Binding Proteins.

Chemical ecology-based insect behavioral regulation approaches, particularly the "push-pull" strategy, hold tremendous potential for sustainable pest management. Odorant-binding proteins (OBPs) are key targets for regulating insect behavior, whereas plant volatile organic compounds function as key semiochemicals. A series of isoeugenol derivatives were rationally edited by targeting OBP9 and OBP15 for discovering botanical-based insect behavioral regulators.

Breaking the toxicity-efficacy tradeoff: Discovery of isoxazoline derivative as candidate for green insecticide.

Commercially available insecticides generally suffer from high toxicity to bees. The inherent toxicity-efficacy trade-off in traditional insecticides has become a major bottleneck constraining the advancement of green pesticide innovation. In this study, a series of novel triazole amide isoxazoline derivatives were designed and synthesized using DP-9 as the lead compound.

Unveiling the Allatostatin Type-A Receptor as a Promising Target for Discovering the Peptide Mimic A15 as an IGR Candidate with a Broader Insecticidal Spectrum.

Allatostatin type-A receptor (AstR-A), a key regulator in insect physiology but not vertebrates, emerges as a promising target. In previous works, allatostatin (AST) analogues exhibited potent juvenile-hormone (JH) inhibitory activity against and unexpected insecticidal activity against , indicating that AST analogues may have a broader insecticidal spectrum. However, AstR-A's potential as a promising target for broad-spectrum insect growth regulators (IGRs) has not yet been explored.

Targeting Two Odorant-Binding Proteins in : Discovery of Novel Jasmone Derivatives as Aphid Repellents.

Odorant-binding proteins (OBPs) are potential targets for the discovery of insect behavior regulators. -jasmone (CJ) was first identified as a repellent against () by its binding to ApisOBP3 and ApisOBP7. Therefore, twenty-one novel CJ derivatives were designed and synthesized based on the binding pockets of these two ApisOBPs.

Rational Design and Synthesis of Isoxazoline Derivatives with Low Bee-Toxicity Based on Bee GABA Receptors.

The isoxazoline insecticide, such as fluralaner, exhibits strong insecticidal activity against pests while showing no cross-resistance. However, due to its toxicity to bees, the use of Fluralaner is restricted in veterinary antiparasitic applications. Hence, how to modify the structure of fluralaner to maintain the insecticidal activity and reduce the toxicity to bees is vital and meaningful.

The Hoverfly Attracting Property of a Methyl Salicylate-Containing ()-β-Farnesene Analog (3e) and Potential Mechanism by Mediating the EcorOBP15 and EcorOR3.

Using natural enemies provides a sustainable method to control major agricultural pests. Hoverflies are significant natural enemies of aphids and efficient pollinators. Herbivore-induced plant volatiles (HIPVs), including ()-β-farnesene (EBF) and methyl salicylate (MeSA), are key olfactory cues mediating hoverflies behavior.

Synthesis of Indol-3-yl Morpholino Derivatives Containing a Hydrazone Moiety as Potential Antiplant Virus Agents.

A series of indol-3-yl morpholino derivatives containing a hydrazone moiety were designed and synthesized using indole-3-carboxylic acid as the starting material. The antiviral activities of the synthesized compounds were systematically evaluated. Compound , optimized using the comparative molecular field analysis (CoMFA) model, exhibited the most potent inhibitory activity against Tobacco mosaic virus (TMV) in vivo with a 50% effective concentration (EC) value of 69.

Novel "Phenyl-Pyrazoline-Oxadiazole" Ternary Substructure Derivatives: Synthesis, Insecticidal Activities, and Structure-Activity Relationship Study.

In recent years, isoxazole insecticides or parasiticides targeting the γ-aminobutyric acid receptor, such as fluralaner or fluxametamide, featured a novel chemical structure and exhibited potent insecticidal activity with no-cross resistance. Thus, many research institutes have tried to modify the structures of these agents to find a new insecticide. Previously, the majority of researchers stuck to the "phenyl-isoxazole-phenyl" structure, making modifications only to other components.

Design, Synthesis, and Antiviral and Fungicidal Activities of 4-Oxo-4-quinolin-1-yl Acylhydrazone Derivatives.

To discover novel antiviral agents, based on the high antiviral activity of (4-oxo-4-quinolin-1-yl)-acetic acid hydrazide (), a series of 4-oxo-4-quinoline acylhydrazone derivatives were designed, synthesized, and first evaluated for their antiviral and fungicidal activities. Most acylhydrazone derivatives exhibited moderate to good antiviral activities in vivo. The inactive, curative, and protective activities of compounds (51.

TMV-CP based rational design and discovery of α-Amide phosphate derivatives as anti plant viral agents.

The tobacco mosaic virus coat protein (TMV-CP) is indispensable for the virus's replication, movement and transmission, as well as for the host plant's immune system to recognize it. It constitutes the outermost layer of the virus particle, and serves as an essential component of the virus structure. TMV-CP is essential for initiating and extending viral assembly, playing a crucial role in the self-assembly process of Tobacco Mosaic Virus (TMV).

Synthesis of 4-Pyrazolo[3,4-]pyrimidin-4-one Hydrazine Derivatives as a Potential Inhibitor for the Self-Assembly of TMV Particles.

Tobacco mosaic virus coat protein (TMV-CP), as a potential target for the development of antiviral agents, can assist in the long-distance movement of viruses and plays an extremely important role in virus replication and propagation. This work focuses on the synthesis and the action mechanism of novel 4-pyrazolo[3,4-] pyrimidin-4-one hydrazine derivatives. The synthesized compounds exhibited promising antiviral activity on TMV.

Rational design, synthesis and binding mechanisms of novel benzyl geranate derivatives as potential eco-friendly aphid repellents.

Background: The push-pull strategy is considered as a promising eco-friendly method for pest management. Plant volatile organic compounds (PVOCs) act as semiochemicals constitute the key factor in implementing this strategy. Benzyl alcohol and geraniol, as functional PVOCs, were reported to regulate insect behavior, showing the potential application in pest control.

Discovery of Novel Hybrid-Type Strigolactone Mimics Derived from Cinnamic Amide.

Strigolactones (SLs) are a class of plant hormones and rhizosphere communication signals of great interest. They perform diverse biological functions including the stimulation of parasitic seed germination and phytohormonal activity. However, their practical use is limited by their low abundance and complex structure, which requires simpler SL analogues and mimics with maintained biological function.

A Potential Lead for Insect Growth Regulator: Design, Synthesis, and Biological Activity Evaluation of Novel Hexacyclic Pyrazolamide Derivatives.

Ecdysone receptor (EcR) and chitinase play a critical role in the molting stage of insect pests. Each of them is considered a promising target for the development of novel insect growth regulators (IGRs). In the present paper, a total of 24 (23 novel) hexacyclic pyrazolamide derivatives were designed and synthesized by reducing the heptacycle and inserting small flexible linkers on the basis of the previously discovered dual-target compound acting simultaneously on EcR and chitinase (ChtI).

Aphid-repellent, ladybug-attraction activities, and binding mechanism of methyl salicylate derivatives containing geraniol moiety.

Background: Aphids have been mainly controlled by traditional chemical insecticides, resulting in unamiable risk to the environment over the last decades. Push-pull strategy is regarded as a promising eco-friendly approach for aphid management through repelling aphid away and attracting their natural enemy. Methyl salicylate (MeSA), one of typical HIPVs (herbivore-induced plant volatiles), can repel aphids and attract ladybugs.

Discovery of Novel Potential Aphid Repellents: Geranic Acid Esters Containing Substituted Aromatic Rings.

Aphids are one of the most damaging agricultural pests. For the sake of novel eco-friendly compounds with good activity for aphid control, a series of novel geranic acid esters containing substituted aromatic rings were designed by inverting ester groups of lead compounds. All compounds were characterized by HRMS, H-NMR, and C-NMR.

Odorant-Binding Protein 3-Oriented Rational Design and Discovery of Novel Jasmonate Derivatives as Potential Aphid-Repellent Agents.

Odorant-binding protein (OBP) is a potential target for developing insect behavior control agents due to its properties in transporting semiochemicals. In this study, 12 novel jasmonic acid (JA) derivatives were rationally designed and synthesized based on the binding features between OBP3 (ApisOBP3) and compound [()-3,7-dimethylocta-2,6-dien-1-yl 2-(3-oxo-2-pentylcyclopentyl)acetate] with a binding affinity () of 26.79 μM.

Synthesis, Antifungal Activity, and 3D-QASR of Novel 1,2,3,4-Tetrahydroquinoline Derivatives Containing a Pyrimidine Ether Scaffold as Chitin Synthase Inhibitors.

The introduction of active groups of natural products into the framework of pesticide molecules is an effective approach for discovering active lead compounds, and thus has been widely used in the development of new agrochemicals. In this work, a novel series of 1,2,3,4-tetrahydroquinoline derivatives containing a pyrimidine ether scaffold were designed and synthesized by the active substructure splicing method. The new compounds showed good antifungal activities against several fungi.

Binding Affinity Characterization of Four Antennae-Enriched Odorant-Binding Proteins From (Coleoptera: Coccinellidae).

is an important natural enemy that consumes many agricultural and forestry pests. It relies on a sensitive olfactory system to find prey and mates. Odorant-binding proteins (OBPs) as the first-step of recognizing volatiles, transport odors through sensillum lymph to odorant receptors (ORs).

Design, synthesis and antifungal/anti-oomycete activity of pyrazolyl oxime ethers as novel potential succinate dehydrogenase inhibitors.

Background: Succinate dehydrogenase inhibitors (SDHIs) play an increasingly important role in controlling plant diseases. However, the similar structures of SDHIs result in rapid development of cross-resistance development and a clear bottleneck of poor activity against oomycetes, therefore the need to seek new SDHI fungicides with novel structures is urgent.

Results: Innovative pyrazolyl oxime ethers were designed by replacing amide with oxime ether based on the succinate dehydrogenase (SDH) structure, and 19 pairs of Z- and E-isomers were efficiently prepared for the discovery of SDHI compounds with a novel bridge.

Computational insight on the binding and selectivity of target-subunit-dependent for neonicotinoid insecticides.

The nicotinic acetylcholine receptor (nAChR), as an attractive target acted by neonicotinoid insecticides, was paid more and more attention in recent years. The mode of action study on neonicotinoids toward nAChR would present significant guidance on rational molecular design to further discover new insecticides. Four neonicotinoids including commercial agents imidacloprid and flupyradifurone, two previously synthesized compounds guadipyr and ethoxythiagua in our lab were docked into a putative model of aphid and honeybee nAChR, respectively, to explore the binding and selective mechanism of neonicotinoids in this study.

Computational investigation of the molecular conformation-dependent binding mode of (E)-β-farnesene analogs with a heterocycle to aphid odorant-binding proteins.

Odorant-binding proteins (OBPs) play an important role as ligand-transfer filters in olfactory recognition in insects. (E)-β-farnesene (EBF) is the main component of the aphid alarm pheromone and could keep aphids away from crops to prevent damage. Computational insight into the molecular binding mode of EBF analogs containing a heterocycle based on the structure of Megoura viciae OBP 3 (MvicOBP3) was obtained by molecular docking and molecular dynamics simulations.