NDLI: The folding of a metallopeptide

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Ortega-carrasco, Elisabeth Sánchez-pedregal, Víctor M. Berardozzi, Roberto Rama, Gustavo Vázquez, M. Eugenio Vázquez López, Miguel Gamba, Ilaria Maréchal, Jean-didier Di Bari, Lorenzo
Description	Author Affiliation: Gamba I ( Departamento de Química Inorgánica and Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CiQUS), Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain. miguel.vazquez.lopez@usc.es.); Rama G ( Departamento de Química Inorgánica and Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CiQUS), Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain. miguel.vazquez.lopez@usc.es.); Ortega-Carrasco E ( Departament de Química, Universitat Autònoma de Barcelona, 08193 Cerdanyola, Spain. jeandidier.marechal@uab.cat.); Berardozzi R ( Dipartimento di Chimica e Chimica Industriale, Università di Pisa, 56124 Pisa, Italy.); Sánchez-Pedregal VM ( Departamento de Química Orgánica and Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CiQUS), Universidade de Santiago de Compostela 15782 Santiago de Compostela, Spain. eugenio.vazquez@usc.es.); Di Bari L ( Dipartimento di Chimica e Chimica Industriale, Università di Pisa, 56124 Pisa, Italy.); Maréchal JD ( Departament de Química, Universitat Autònoma de Barcelona, 08193 Cerdanyola, Spain. jeandidier.marechal@uab.cat.); Vázquez ME ( Departamento de Química Orgánica and Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CiQUS), Universidade de Santiago de Compostela 15782 Santiago de Compostela, Spain. eugenio.vazquez@usc.es.); Vázquez López M ( Departamento de Química Inorgánica and Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CiQUS), Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain. miguel.vazquez.lopez@usc.es.)
Abstract	We have applied solid-phase synthesis methods for the construction of tris(bipyridyl) peptidic ligands that coordinate Fe(II) ions with high affinity and fold into stable mononuclear metallopeptides. The main factors influencing the folding pathway and chiral control of the peptidic ligands around the metal ions have been studied both by experimental techniques (CD, UV-vis and NMR) and molecular modeling tools. Amongst the numerous molecular variables that have been studied, this study clearly illustrates how the chirality of a given set of aminoacids (proline in this case) of the peptide dictates the chirality of the metal center of the resulting metallopeptide. Moreover, the relatively hydrophobic peptidic models used in this work show that the most stable structures present reduced solvent contacts and, in counterpart, stabilize the cis configuration of the proline residues.
ISSN	14779226
Issue Number	3
Volume Number	45
e-ISSN	13645447
Journal	Dalton Trans.
Language	English
Publisher	Royal Society of Chemistry
Publisher Date	2016-01-21
Publisher Place	Great Britain (UK)
Access Restriction	Subscribed
Subject Keyword	Metalloproteins Chemistry Peptides Protein Folding 2,2'-Dipyridyl Ferrous Compounds Molecular Structure Quantum Theory Journal Article Research Support, Non-U.S. Gov't
Content Type	Text
Resource Type	Article
Subject	Inorganic Chemistry

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