ArticleChemphyschem : a European journal of chemical physics and physical chemistry2015
Insight into the Binding Mode of Agonists of the Nicotinic Acetylcholine Receptor from Calculated Electron Densities.
Article in Chemphyschem : a European journal of chemical physics and physical chemistry, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
7 citing papers in PubMed, 21 citations in OpenAlex.
- Effects of two nAChR agonists on wood ants: acetamiprid induces lethality and immediate hypoactivity, while flupyradifurone causes time-delayed hyperactivity.Environmental science and pollution research international · 2025Article
- A Generally Applicable Method for Disentangling the Effect of Individual Noncovalent Interactions on the Binding Energy.Angewandte Chemie (International ed. in English) · 2025Article
- Physiological Effects of Neonicotinoid Insecticides on Non-Target Aquatic Animals-An Updated Review.International journal of molecular sciences · 2021Review
- A binding mode hypothesis for prothioconazole binding to CYP51 derived from first principles quantum chemistry.Journal of computer-aided molecular design · 2021Article
- Status and outlook for acaricide and insecticide discovery.Pest management science · 2021Review
- The novel pesticide flupyradifurone (Sivanto) affects honeybee motor abilities.Ecotoxicology (London, England) · 2019Article
- Discovery, synthesis, biological evaluation and structure-based optimization of novel piperidine derivatives as acetylcholine-binding protein ligands.Acta pharmacologica Sinica · 2017Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Insect nicotinic acetylcholine receptors (nAChRs) are among the most prominent and most economically important insecticide targets. Thus, an understanding of the modes of binding of respective agonists is important for the design of specific compounds with favorable vertebrate profiles. In the case of nAChRs, the lack of available high-resolution X-ray structures leaves theoretical considerations as the only viable option. Starting from classical homology and docking approaches, binding mode hypotheses are created for five agonists of the nAChR, covering insecticides in the main group 4 of the Insecticide Resistance Action Committee (IRAC) mode of action (MoA) classification, namely, neonicotinoids, nicotine, sulfoxaflor, and butenolides. To better understand these binding modes, the topologies of calculated electron densities of small-model systems are analyzed in the framework of the quantum theory of atoms in molecules. The theoretically obtained modes of binding are very much in line with the biology-driven IRAC MoA classification of the investigated ligands.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
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.