Theoretical study of fluorinated bioisosteres of organochlorine compounds as effective and eco-friendly pesticides

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorMartins, Francisco A.-
Autor(es): dc.creatorDaré, Joyce K.-
Autor(es): dc.creatorFreitas, Matheus Puggina-
Data de aceite: dc.date.accessioned2026-02-09T12:18:42Z-
Data de disponibilização: dc.date.available2026-02-09T12:18:42Z-
Data de envio: dc.date.issued2020-09-16-
Data de envio: dc.date.issued2020-09-16-
Data de envio: dc.date.issued2020-08-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/43087-
Fonte completa do material: dc.identifierhttps://doi.org/10.1016/j.ecoenv.2020.110679-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1158739-
Descrição: dc.descriptionChlordane is a worldwide banned organochlorine insecticide because of its hazard to animal and human health. It is also a persistent organic pollutant, which can affect either the soil or the aquatic life. The same applies to other chlorinated cyclodiene insecticides, such as dieldrin and aldrin. In turn, organofluorine compounds have a widespread use in agriculture. Therefore, density functional calculations and docking studies showed that the bioisosteric replacement of chlorines in the above-mentioned compounds by fluorines improves some physicochemical parameters used to estimate the toxicity and environmental risk of these compounds, as well as the ligand-enzyme (GABAA receptor-chloride channel complex) interactions related to their insecticidal activity. This work is an effort to provide an improved new class of organofluorine pesticides.-
Idioma: dc.languageen-
Publicador: dc.publisherElsevier-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceEcotoxicology and Environmental Safety-
Palavras-chave: dc.subjectOrganofluorines-
Palavras-chave: dc.subjectChlorinated cyclodienes-
Palavras-chave: dc.subjectInsecticides-
Palavras-chave: dc.subjectEnvironment-
Palavras-chave: dc.subjectMolecular modeling-
Palavras-chave: dc.subjectCompostos organoclorados-
Palavras-chave: dc.subjectCiclodienos clorados-
Palavras-chave: dc.subjectInseticidas-
Palavras-chave: dc.subjectModelagem molecular-
Título: dc.titleTheoretical study of fluorinated bioisosteres of organochlorine compounds as effective and eco-friendly pesticides-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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