Structural Insights into Neonicotinoids and N-Unsubstituted Metabolites on Human nAChRs by Molecular Docking, Dynamics Simulations, and Calcium Imaging.

Grillberger, Karin; Cöllen, Eike; Trivisani, Claudia Immacolata; Blum, Jonathan; Leist, Marcel; Ecker, Gerhard F

Grillberger, Karin; Cöllen, Eike; Trivisani, Claudia Immacolata; Blum, Jonathan; Leist, Marcel; Ecker, Gerhard F.

Afiliação

Grillberger K; Department of Pharmaceutical Sciences, University of Vienna, 1090 Vienna, Austria.
Cöllen E; In Vitro Toxicology and Biomedicine, University of Konstanz, 78457 Konstanz, Germany.
Trivisani CI; Department of Biotechnology, Chemistry and Pharmacy, University of Siena, 53100 Siena, Italy.
Blum J; In Vitro Toxicology and Biomedicine, University of Konstanz, 78457 Konstanz, Germany.
Leist M; In Vitro Toxicology and Biomedicine, University of Konstanz, 78457 Konstanz, Germany.
Ecker GF; Department of Pharmaceutical Sciences, University of Vienna, 1090 Vienna, Austria.

Int J Mol Sci ; 24(17)2023 Aug 24.

Article em En | MEDLINE | ID: mdl-37685977

Assuntos

Cálcio; Receptores Nicotínicos; Animais; Humanos; Simulação de Acoplamento Molecular; Cálcio da Dieta; Neonicotinoides/farmacologia

Palavras-chave

calcium imaging; docking; metabolites; molecular dynamics simulations; nAChR; neonicotinoids; pesticides

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Cálcio / Receptores Nicotínicos Tipo de estudo: Prognostic_studies Limite: Animals / Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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