The Dynamics of the Neuropeptide Y Receptor Type 1 Investigated by Solid-State NMR and Molecular Dynamics Simulation.

Drug Discovery Magnetic Resonance Spectroscopy / methods Molecular Dynamics Simulation Nuclear Magnetic Resonance, Biomolecular Protein Conformation Receptors, Neuropeptide Y / antagonists & inhibitors Recombinant Proteins / chemistry Structure-Activity Relationship
GPCR MD simulation NMR spectroscopy arrestin molecular switch structural dynamics

Journal

Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009

Informations de publication

Date de publication:
24 Nov 2020
Historique:
received: 16 10 2020
revised: 09 11 2020
accepted: 12 11 2020
entrez: 1 12 2020
pubmed: 2 12 2020
medline: 10 4 2021
Statut: epublish

Résumé

We report data on the structural dynamics of the neuropeptide Y (NPY) G-protein-coupled receptor (GPCR) type 1 (Y1R), a typical representative of class A peptide ligand GPCRs, using a combination of solid-state NMR and molecular dynamics (MD) simulation. First, the equilibrium dynamics of Y1R were studied using

Identifiants

DOI: 10.3390/molecules25235489 PMID: 33255213 PMC: PMC7727705
pubmed: 33255213
pii: molecules25235489
doi: 10.3390/molecules25235489
pmc: PMC7727705
pii:
doi:

Substances chimiques

Receptors, Neuropeptide Y 0
Recombinant Proteins 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Subventions

Organisme : NIGMS NIH HHS
ID : R35 GM122491
Pays : United States
Organisme : NIH HHS
ID : GM122491 and EY011500
Pays : United States
Organisme : Deutsche Forschungsgemeinschaft
ID : 421152132

Références

Adv Protein Chem. 2003;63:243-90
pubmed: 12629973
Biophys J. 2009 Jul 8;97(1):50-8
pubmed: 19580743
Biophys Chem. 2000 Jul 15;85(2-3):229-48
pubmed: 10961509
Angew Chem Int Ed Engl. 2020 Aug 13;:
pubmed: 32790043
Regul Pept. 2004 Apr 15;118(1-2):67-74
pubmed: 14759559
J Biomol NMR. 2015 Apr;61(3-4):347-59
pubmed: 25556885
Physiology (Bethesda). 2010 Oct;25(5):293-303
pubmed: 20940434
J Comput Chem. 2016 Mar 5;37(6):558-66
pubmed: 26077712
J Chem Theory Comput. 2019 Jan 8;15(1):775-786
pubmed: 30525595
Annu Rev Biophys. 2017 May 22;46:379-410
pubmed: 28532212
Structure. 2020 Sep 1;28(9):1004-1013.e4
pubmed: 32470317
Eur J Pharmacol. 1996 Dec 27;318(1):193-200
pubmed: 9007532
J Am Chem Soc. 2006 Oct 25;128(42):13840-6
pubmed: 17044712
Nature. 2019 Aug;572(7767):80-85
pubmed: 31243364
Cell. 2013 Jan 31;152(3):532-42
pubmed: 23374348
J Am Chem Soc. 2014 Aug 13;136(32):11244-7
pubmed: 25046433
Biophys Rev. 2019 Jun;11(3):409-418
pubmed: 31102199
Front Endocrinol (Lausanne). 2013 Feb 04;4:5
pubmed: 23382728
Cell. 2018 Jan 11;172(1-2):68-80.e12
pubmed: 29290469
Science. 2012 Jul 13;337(6091):232-6
pubmed: 22798613
Biochemistry. 2003 Jul 15;42(27):8377-86
pubmed: 12846587
J Am Chem Soc. 2013 Aug 21;135(33):12305-12
pubmed: 23883288
FASEB J. 1996 Jan;10(1):49-56
pubmed: 8566547
PLoS One. 2007 Sep 12;2(9):e880
pubmed: 17849009
NMR Biomed. 2006 Dec;19(8):1010-9
pubmed: 16823903
Nat Commun. 2020 Feb 3;11(1):669
pubmed: 32015348
Nature. 2007 Dec 13;450(7172):964-72
pubmed: 18075575
J Am Chem Soc. 2011 Apr 6;133(13):4874-81
pubmed: 21401038
J Comput Chem. 2010 Mar;31(4):671-90
pubmed: 19575467
Chem Rev. 2017 Jan 11;117(1):139-155
pubmed: 27622975
Science. 2012 Mar 2;335(6072):1106-10
pubmed: 22267580
Nature. 2007 Nov 15;450(7168):383-7
pubmed: 17952055
J Am Chem Soc. 2014 Feb 19;136(7):2833-42
pubmed: 24467417
Nat Chem Biol. 2020 Apr;16(4):430-439
pubmed: 31959965
Angew Chem Int Ed Engl. 2015 Jun 15;54(25):7446-9
pubmed: 25924821
J Chem Theory Comput. 2016 Jan 12;12(1):405-13
pubmed: 26631602
Biophys Chem. 2010 Aug;150(1-3):29-36
pubmed: 20421142
Biochim Biophys Acta. 2010 Feb;1798(2):275-85
pubmed: 19819220
Biochemistry. 2011 Mar 29;50(12):2371-80
pubmed: 21323370
Trends Pharmacol Sci. 2009 May;30(5):249-59
pubmed: 19375807
Nature. 2016 May 04;533(7602):265-8
pubmed: 27144352
Biochem J. 2013 Mar 15;450(3):443-57
pubmed: 23445222
Nature. 2011 Jul 19;477(7366):549-55
pubmed: 21772288
J Biol Chem. 2002 Mar 15;277(11):9043-8
pubmed: 11782458
Eur Biophys J. 2003 Sep;32(6):578-84
pubmed: 12830331
Sci Rep. 2017 Apr 07;7:46128
pubmed: 28387359
Nat Chem. 2014 Jan;6(1):15-21
pubmed: 24345941
Science. 2000 Aug 4;289(5480):739-45
pubmed: 10926528
Nat Commun. 2020 Aug 19;11(1):4160
pubmed: 32814772
Nature. 2016 Feb 11;530(7589):237-41
pubmed: 26840483
Chem Rev. 2017 Jan 11;117(1):186-245
pubmed: 27341004
J Comput Chem. 2009 Jul 30;30(10):1545-614
pubmed: 19444816
J Comput Chem. 2008 Aug;29(11):1859-65
pubmed: 18351591
Curr Biol. 2009 Sep 15;19(17):R762-71
pubmed: 19906578
J Am Chem Soc. 2008 Sep 17;130(37):12465-71
pubmed: 18712874
Trends Biochem Sci. 2009 Nov;34(11):540-52
pubmed: 19836958
Chemistry. 2014 Apr 22;20(17):4986-92
pubmed: 24623336
Science. 1991 Dec 13;254(5038):1598-603
pubmed: 1749933
Science. 2007 Nov 23;318(5854):1266-73
pubmed: 17962519
Biophys J. 2019 Jun 4;116(11):2103-2120
pubmed: 31130234
Proc Natl Acad Sci U S A. 2011 Nov 15;108(46):18684-9
pubmed: 22031696
Nat Methods. 2017 Nov 30;14(12):1123-1124
pubmed: 29190271
Nature. 2020 Mar;579(7798):303-308
pubmed: 31945771
Angew Chem Int Ed Engl. 2013 Dec 2;52(49):12848-51
pubmed: 24382636
Nat Protoc. 2007;2(10):2332-8
pubmed: 17947974
Chem Rev. 2002 Mar;102(3):613-28
pubmed: 11890752
Curr Protoc Pharmacol. 2014 Dec 01;67:Unit 2.11.1-19
pubmed: 25446290
Nature. 2020 Mar;579(7798):297-302
pubmed: 31945772
Proteins. 1996 Apr;24(4):433-8
pubmed: 9162944
Biotechnol Prog. 2009 Nov-Dec;25(6):1732-9
pubmed: 19725122
J Phys Chem B. 2010 Jun 17;114(23):7830-43
pubmed: 20496934
Curr Opin Cell Biol. 2014 Apr;27:136-43
pubmed: 24534489
Nat Rev Drug Discov. 2019 Jan;18(1):59-82
pubmed: 30410121
Nature. 2018 Apr;556(7702):520-524
pubmed: 29670288
Front Mol Biosci. 2018 Jan 17;4:100
pubmed: 29387686
Nucleic Acids Res. 2016 Jul 8;44(W1):W390-4
pubmed: 27105847
Angew Chem Int Ed Engl. 2013 Jun 17;52(25):6380-8
pubmed: 23650120
Proc Natl Acad Sci U S A. 2020 Sep 15;117(37):23096-23105
pubmed: 32868434
Biochemistry. 2001 Jun 26;40(25):7662-74
pubmed: 11412120
Biophys J. 2000 Jun;78(6):3011-8
pubmed: 10827979
J Comput Chem. 2014 Oct 15;35(27):1997-2004
pubmed: 25130509
J Chem Phys. 2008 Mar 14;128(10):104505
pubmed: 18345904
J Biol Chem. 2001 Aug 31;276(35):32395-8
pubmed: 11432876
Nature. 2008 Sep 25;455(7212):497-502
pubmed: 18818650
J Phys Chem B. 2015 Apr 16;119(15):4917-28
pubmed: 25807267

Auteurs

Alexander Vogel (A)

Institute for Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, D-04107 Leipzig, Germany.
ORCID: 0000-0001-8882-6410

Mathias Bosse (M)

Institute for Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, D-04107 Leipzig, Germany.

Marcel Gauglitz (M)

Institute for Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, D-04107 Leipzig, Germany.

Sarah Wistuba (S)

Institute for Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, D-04107 Leipzig, Germany.

Peter Schmidt (P)

Institute for Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, D-04107 Leipzig, Germany.

Anette Kaiser (A)

Faculty of Life Sciences, Institute of Biochemistry, University of Leipzig, Brüderstr. 34, D-04103 Leipzig, Germany.

Vsevolod V Gurevich (VV)

Vanderbilt University Medical Center, 2200 Pierce Avenue, Nashville, TN 37232, USA.
ORCID: 0000-0002-3950-5351

Annette G Beck-Sickinger (AG)

Faculty of Life Sciences, Institute of Biochemistry, University of Leipzig, Brüderstr. 34, D-04103 Leipzig, Germany.

Peter W Hildebrand (PW)

Institute for Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, D-04107 Leipzig, Germany.
ORCID: 0000-0003-0063-1104

Daniel Huster (D)

Institute for Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, D-04107 Leipzig, Germany.
ORCID: 0000-0002-3273-0943

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Classifications MeSH

questionsmedicales.fr › Techniques d'investigation › Développement de médicament › Découverte de médicament › The Dynamics of the Neuropeptide Y Receptor...
questionsmedicales.fr › Techniques d'investigation › Techniques de chimie analytique › Analyse spectrale › Spectroscopie par résonance magnétique › The Dynamics of the Neuropeptide Y Receptor...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › The Dynamics of the Neuropeptide Y Receptor...
questionsmedicales.fr › Techniques d'investigation › Techniques de chimie analytique › Analyse spectrale › Spectroscopie par résonance magnétique › Résonance magnétique nucléaire biomoléculaire › The Dynamics of the Neuropeptide Y Receptor...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Conformation moléculaire › Conformation des protéines › The Dynamics of the Neuropeptide Y Receptor...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines membranaires › Récepteurs de surface cellulaire › Récepteurs peptidiques › Récepteur aux neuropeptides › Récepteur neuropeptide Y › The Dynamics of the Neuropeptide Y Receptor...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines recombinantes › The Dynamics of the Neuropeptide Y Receptor...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes pharmacologiques › Relation structure-activité › The Dynamics of the Neuropeptide Y Receptor...