2-Arylmelatonin analogues: Probing the 2-phenyl binding pocket of melatonin MT

Ligands Melatonin / analogs & derivatives Molecular Dynamics Simulation Receptor, Melatonin, MT1 / chemistry Receptor, Melatonin, MT2 / chemistry
Atropisomer Free-energy simulations Indole derivatives Lipophilicity MT(1) and MT(2) receptors Melatonin

Journal

European journal of medicinal chemistry
ISSN: 1768-3254
Titre abrégé: Eur J Med Chem
Pays: France
ID NLM: 0420510

Informations de publication

Date de publication:
05 Dec 2022
Historique:
received: 27 07 2022
revised: 29 08 2022
accepted: 07 09 2022
pubmed: 24 9 2022
medline: 2 11 2022
entrez: 23 9 2022
Statut: ppublish

Résumé

In crystal structures of melatonin MT

Identifiants

DOI: 10.1016/j.ejmech.2022.114762 PMID: 36150258
pubmed: 36150258
pii: S0223-5234(22)00664-X
doi: 10.1016/j.ejmech.2022.114762
pii:
doi:

Substances chimiques

Ligands 0
Melatonin JL5DK93RCL
Receptor, Melatonin, MT1 0
Receptor, Melatonin, MT2 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

114762

Informations de copyright

Copyright © 2022 Elsevier Masson SAS. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

Auteurs

Michele Mari (M)

Dipartimento di Scienze Biomolecolari, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029, Urbino, Italy.

Gian Marco Elisi (GM)

Dipartimento di Scienze degli Alimenti e del Farmaco, Università degli Studi di Parma, Parco Area delle Scienze 27/A, 43124, Parma, Italy.

Annalida Bedini (A)

Dipartimento di Scienze Biomolecolari, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029, Urbino, Italy.

Simone Lucarini (S)

Dipartimento di Scienze Biomolecolari, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029, Urbino, Italy.

Michele Retini (M)

Dipartimento di Scienze Biomolecolari, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029, Urbino, Italy.

Valeria Lucini (V)

Dipartimento di Oncologia ed Emato-Oncologia, Università degli Studi di Milano, Via Vanvitelli 32, 20129, Milano, Italy.

Francesco Scaglione (F)

Dipartimento di Oncologia ed Emato-Oncologia, Università degli Studi di Milano, Via Vanvitelli 32, 20129, Milano, Italy.

Fabrizio Vincenzi (F)

Dipartimento di Medicina Traslazionale, University of Ferrara, Via Luigi Borsari 46, 44121, Ferrara, Italy.

Katia Varani (K)

Dipartimento di Medicina Traslazionale, University of Ferrara, Via Luigi Borsari 46, 44121, Ferrara, Italy.

Riccardo Castelli (R)

Dipartimento di Scienze degli Alimenti e del Farmaco, Università degli Studi di Parma, Parco Area delle Scienze 27/A, 43124, Parma, Italy.

Marco Mor (M)

Dipartimento di Scienze degli Alimenti e del Farmaco, Università degli Studi di Parma, Parco Area delle Scienze 27/A, 43124, Parma, Italy.

Silvia Rivara (S)

Dipartimento di Scienze degli Alimenti e del Farmaco, Università degli Studi di Parma, Parco Area delle Scienze 27/A, 43124, Parma, Italy. Electronic address: silvia.rivara@unipr.it.

Gilberto Spadoni (G)

Dipartimento di Scienze Biomolecolari, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029, Urbino, Italy.

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Classifications MeSH

questionsmedicales.fr › Actions chimiques et utilisations › Utilisations spécialisées de produits chimiques › Produits chimiques de laboratoire › Ligands › 2-Arylmelatonin analogues: Probing the...
questionsmedicales.fr › Mélatonine › 2-Arylmelatonin analogues: Probing the...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › 2-Arylmelatonin analogues: Probing the...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines membranaires › Récepteurs de surface cellulaire › Récepteurs couplés aux protéines G › Récepteur de la mélatonine de type MT1 › 2-Arylmelatonin analogues: Probing the...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines membranaires › Récepteurs de surface cellulaire › Récepteurs couplés aux protéines G › Récepteur de la mélatonine de type MT2 › 2-Arylmelatonin analogues: Probing the...