Molecular Basis of CLC Antiporter Inhibition by Fluoride.

Antiporters / metabolism Chlorides / metabolism Fluorides / metabolism Humans Models, Molecular

Journal

Journal of the American Chemical Society
ISSN: 1520-5126
Titre abrégé: J Am Chem Soc
Pays: United States
ID NLM: 7503056

Informations de publication

Date de publication:
22 04 2020
Historique:
pubmed: 3 4 2020
medline: 16 4 2021
entrez: 3 4 2020
Statut: ppublish

Résumé

CLC channels and transporters conduct or transport various kinds of anions, with the exception of fluoride, which acts as an effective inhibitor. Here, we performed sub-nanosecond DFT-based QM/MM simulations of the

Identifiants

DOI: 10.1021/jacs.9b13588 PMID: 32233472
pubmed: 32233472
doi: 10.1021/jacs.9b13588
doi:

Substances chimiques

Antiporters 0
Chlorides 0
Fluorides Q80VPU408O

Types de publication

Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S.

Langues

eng

Sous-ensembles de citation

IM

Pagination

7254-7258

Auteurs

Maria Gabriella Chiariello (MG)

Institute for Advanced Simulation (IAS-5) and Institute of Neuroscience and Medicine (INM-9), Computational Biomedicine, Forschungszentrum Jülich, 52425 Jülich, Germany.
JARA-HPC, Forschungszentrum Jülich, D-54245 Jülich, Germany.
ORCID: 0000-0003-1076-682X

Viacheslav Bolnykh (V)

Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland.

Emiliano Ippoliti (E)

Institute for Advanced Simulation (IAS-5) and Institute of Neuroscience and Medicine (INM-9), Computational Biomedicine, Forschungszentrum Jülich, 52425 Jülich, Germany.
JARA-HPC, Forschungszentrum Jülich, D-54245 Jülich, Germany.
ORCID: 0000-0001-5513-8056

Simone Meloni (S)

Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Ferrara, Via Luigi Borsari 46, I-44121 Ferrara, Italy.

Jógvan Magnus Haugaard Olsen (JMH)

Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway.
ORCID: 0000-0001-7487-944X

Thomas Beck (T)

Department of Chemistry, University of Cincinnati, Cincinnati, Ohio 45221, United States.

Ursula Rothlisberger (U)

Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland.
ORCID: 0000-0002-1704-8591

Christoph Fahlke (C)

Institute of Biological Information Processing (IBI-1), Molekular- und Zellphysiologie, Forschungszentrum Jülich, D-54245 Jülich, Germany.

Paolo Carloni (P)

Institute for Advanced Simulation (IAS-5) and Institute of Neuroscience and Medicine (INM-9), Computational Biomedicine, Forschungszentrum Jülich, 52425 Jülich, Germany.
JARA-HPC, Forschungszentrum Jülich, D-54245 Jülich, Germany.
Department of Physics, RWTH Aachen University, 52056 Aachen, Germany.
Institute of Neuroscience and Medicine (INM-11), Molecular Neuroscience and Neuroimaging, Forschungszentrum Julich, 52425 Julich, Germany.
ORCID: 0000-0002-9010-0149

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Classifications MeSH

questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines membranaires › Protéines de transport membranaire › Pompes ioniques › Antiports › Molecular Basis of CLC Antiporter Inhibition...
questionsmedicales.fr › Produits chimiques inorganiques › Électrolytes › Ions › Anions › Chlorures › Molecular Basis of CLC Antiporter Inhibition...
questionsmedicales.fr › Produits chimiques inorganiques › Composés du fluor › Acide fluorhydrique › Fluorures › Molecular Basis of CLC Antiporter Inhibition...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Molecular Basis of CLC Antiporter Inhibition...
questionsmedicales.fr › Techniques d'investigation › Modèles théoriques › Modèles moléculaires › Molecular Basis of CLC Antiporter Inhibition...