ArticleJournal of molecular modeling2009
Homology modeling of human alpha 1 beta 2 gamma 2 and house fly beta 3 GABA receptor channels and Surflex-docking of fipronil.
Article in Journal of molecular modeling, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Developmental and behavioral effects of fetal and neonatal exposure to the phenylpyrazole pesticide fipronil in mice.The Journal of veterinary medical science · 2026Article
- Designing Trifluoromethyl Pyrazolones for Selective Molluscicidal Activity AgainstJournal of agricultural and food chemistry · 2025Article
- Effects of low-dose subchronic exposure to the phenylpyrazole insecticide fipronil in juvenile mice.The Journal of veterinary medical science · 2025Article
- Influence of acute exposure to a low dose of systemic insecticide fipronil on locomotor activity and emotional behavior in adult male mice.The Journal of veterinary medical science · 2021Article
- Identification of The Fipronil Resistance Associated Mutations inMolecules (Basel, Switzerland) · 2019Article
- Reversal effect of FW-04-806, a macrolide dilactone compound, on multidrug resistance mediated by ABCB1 and ABCG2 in vitro and in vivo.Cell communication and signaling : CCS · 2019Article
- Arylpyrrole and fipronil analogues that inhibit the motility and/or development of Haemonchus contortus in vitro.International journal for parasitology. Drugs and drug resistance · 2018Article
- Mechanism of action of the insecticides, lindane and fipronil, on glycine receptor chloride channels.British journal of pharmacology · 2012Article
- Probing structural features and binding mode of 3-arylpyrimidin-2,4-diones within housefly γ-aminobutyric acid (GABA) receptor.International journal of molecular sciences · 2011Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
To further explore the mechanism of selective binding of the representative gamma-aminobutyric acid receptors (GABARs) noncompetitive antagonist (NCA) fipronil to insect over mammalian GABARs, three-dimensional models of human alpha 1 beta 2 gamma 2 and house fly beta 3 GABAR were generated by homology modeling, using the cryo-electron microscopy structure of the nicotinic acetylcholine receptor (nAChR) of Torpedo marmorata as a template. Fipronil was docked into the putative binding site of the human alpha 1 beta 2 gamma 2 and house fly beta 3 receptors by Surflex-docking, and the calculated docking energies are in agreement with experimental results. The GABA receptor antagonist fipronil exhibited higher potency with house fly beta 3 GABAR than with human alpha 1 beta 2 gamma 2 GABAR. Furthermore, analyses of Surflex-docking suggest that the H-bond interaction of fipronil with Ala2 and Thr6 in the second transmembrane segment (TM2) of these GABARs plays a relatively important role in ligand selective binding. The different subunit assemblies of human alpha 1 beta 2 gamma 2 and house fly beta 3 GABARs may result in differential selectivity for fipronil.
Indexed as
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19238461What 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.