ArticleProceedings of the National Academy of Sciences of the United States of America2008
Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 39 papers, 1 of them a synthesis that pooled it.
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Who cites it
39 citing papers in PubMed, 1 synthesis or guideline pooled it, 172 citations in OpenAlex.
- Enhanced meta-analysis of acetylcholine binding protein structures reveals conformational signatures of agonism in nicotinic receptors.Protein science : a publication of the Protein Society · 2012Pooled it
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- The Molecular Resistance Mechanisms of European Earwigs from Apple Orchards Subjected to Different Management Strategies.Insects · 2023Article
- The modes of action of ion-channel-targeting neurotoxic insecticides: lessons from structural biology.Nature structural & molecular biology · 2023Review
- Design, Synthesis and Bioactivity of Novel Low Bee-Toxicity Compounds Based on Flupyrimin.Molecules (Basel, Switzerland) · 2022Article
- Mode of Action of Neonicotinoid Insecticides Imidacloprid and Thiacloprid to the Cockroach Pameα7 Nicotinic Acetylcholine Receptor.International journal of molecular sciences · 2021Article
- Synthesis and Insecticidal Evaluation of Chiral Neonicotinoids Analogs: The Laurel Wilt Case.Molecules (Basel, Switzerland) · 2021Article
- Investigations on the E/Z-isomerism of neonicotinoids.Journal of computer-aided molecular design · 2021Article
- Studies onJournal of pesticide science · 2017Article
- Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation.Journal of computer-aided molecular design · 2015Article
- Azobenzene Modified Imidacloprid Derivatives as Photoswitchable Insecticides: Steering Molecular Activity in a Controllable Manner.Scientific reports · 2015Article
- Insight into the Binding Mode of Agonists of the Nicotinic Acetylcholine Receptor from Calculated Electron Densities.Chemphyschem : a European journal of chemical physics and physical chemistry · 2015Article
- The Toxicity and Detoxifying Mechanism of Cycloxaprid and Buprofezin in Controlling Sogatella furcifera (Homoptera: Delphacidae).Journal of insect science (Online) · 2015Article
- Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at α4β2 nicotinic acetylcholine receptors.The Journal of biological chemistry · 2014Article
- Principles of agonist recognition in Cys-loop receptors.Frontiers in physiology · 2014Review
- Insect nicotinic receptor interactions in vivo with neonicotinoid, organophosphorus, and methylcarbamate insecticides and a synergist.Proceedings of the National Academy of Sciences of the United States of America · 2013Article
- An unusual pattern of ligand-receptor interactions for the α7 nicotinic acetylcholine receptor, with implications for the binding of varenicline.Molecular pharmacology · 2013Article
- Synthesis, insecticidal, and antibacterial activities of novel neonicotinoid analogs with dihydropyridine.Chemistry Central journal · 2013Article
- Assembly of a π-π stack of ligands in the binding site of an acetylcholine-binding protein.Nature communications · 2013Article
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Authors and funding
7 authors at 3 institutions in 2 countries.
Funding
Abstract
Acetylcholine-binding proteins (AChBPs) from mollusks are suitable structural and functional surrogates of the nicotinic acetylcholine receptors when combined with transmembrane spans of the nicotinic receptor. These proteins assemble as a pentamer with identical ACh binding sites at the subunit interfaces and show ligand specificities resembling those of the nicotinic receptor for agonists and antagonists. A subset of ligands, termed the neonicotinoids, exhibit specificity for insect nicotinic receptors and selective toxicity as insecticides. AChBPs are of neither mammalian nor insect origin and exhibit a distinctive pattern of selectivity for the neonicotinoid ligands. We define here the binding orientation and determinants of differential molecular recognition for the neonicotinoids and classical nicotinoids by estimates of kinetic and equilibrium binding parameters and crystallographic analysis. Neonicotinoid complex formation is rapid and accompanied by quenching of the AChBP tryptophan fluorescence. Comparisons of the neonicotinoids imidacloprid and thiacloprid in the binding site from Aplysia californica AChBP at 2.48 and 1.94 A in resolution reveal a single conformation of the bound ligands with four of the five sites occupied in the pentameric crystal structure. The neonicotinoid electronegative pharmacophore is nestled in an inverted direction compared with the nicotinoid cationic functionality at the subunit interfacial binding pocket. Characteristic of several agonists, loop C largely envelops the ligand, positioning aromatic side chains to interact optimally with conjugated and hydrophobic regions of the neonicotinoid. This template defines the association of interacting amino acids and their energetic contributions to the distinctive interactions of neonicotinoids.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.