{"doi":"10.1021/acs.jafc.1c03241","title":"Deciphering the Flupyrimin Binding Surface on the Insect Nicotinic Acetylcholine Receptor","abstract":"A novel insecticide flupyrimin (FLP) with a trifluoroacetyl pharmacophore acts as an antagonist at the insect nicotinic acetylcholine receptor (nAChR). This investigation examines a hypothesis that the FLP C(O)CF3 moiety is primarily recognized by the β subunit-face in the ligand-binding pocket (interface between α and β subunits) of the insect nAChR. Accordingly, we evaluate the atomic interaction between a fluorine atom of FLP and the partnering amino acid side chain on the β subunit employing a recombinant hybrid nAChR consisting of aphid Mpα2 and rat Rβ2 subunits (with a mutation at T77 on the Rβ2). The H-donating T77R, T77K, T77N, or T77Q nAChR enhances the FLP binding potency relative to that of the wild-type receptor, whereas the affinity of neonicotinoid imidaclprid (IMI) with a nitroguanidine pharmacophore remains unchanged. These results facilitate the establishment of the unique FLP molecular recognition at the Mpα2/Mpβ1 interface structural model, thereby underscoring a distinction in its binding mechanism from IMI.","journal":"Journal of Agricultural and Food Chemistry","year":2021,"id":190210,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":14,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9617,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2021-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":753764,"name":"Tomonori Suzuki","orcid":"0000-0003-2026-1526","position":1,"is_corresponding":false},{"id":754263,"name":"Ryo Horikoshi","orcid":null,"position":2,"is_corresponding":false},{"id":753765,"name":"Shohei Doi","orcid":"0000-0003-1647-8511","position":3,"is_corresponding":false},{"id":754264,"name":"Mizuki Nakamura","orcid":null,"position":4,"is_corresponding":false},{"id":754265,"name":"Fumika Kobayashi","orcid":null,"position":5,"is_corresponding":false},{"id":331235,"name":"Kathleen A. Durkin","orcid":"0000-0003-1282-6101","position":6,"is_corresponding":false},{"id":753766,"name":"Kenji Shimomura","orcid":"0000-0002-0676-8251","position":7,"is_corresponding":false},{"id":753767,"name":"Satoshi Nakamura","orcid":"0000-0001-5130-2488","position":8,"is_corresponding":false},{"id":754266,"name":"Kazumi Yamamoto","orcid":null,"position":9,"is_corresponding":false},{"id":753768,"name":"Motohiro Tomizawa","orcid":"0000-0002-5579-4114","position":10,"is_corresponding":false},{"id":753763,"name":"Takehito Terajima","orcid":"0000-0002-3503-090X","position":0,"is_corresponding":true}],"reference_count":33,"raw_metadata":null,"created_at":"2026-07-18T23:49:22.671571Z","pmid":"34374535","pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}