Early stages in Aβ1-42 spontaneous aggregation: An unbiased dataset from coarse-grained molecular dynamics simulations

Autor: Exequiel E. Barrera, Sergio Pantano

Publikováno v: Data in Brief, Vol 49, Iss , Pp 109359- (2023)

The small soluble aggregates of Aβ1-42 are broadly documented as potential targets for the development of new compounds with the capacity to inhibit the early stages of Alzheimer´s disease. Nevertheless, Aβ1-42 peptides show an intrinsically disor

Externí odkaz: https://doaj.org/article/4ff5e63e6958419895de39400c9ab41b

A homogeneous dataset of polyglutamine and glutamine rich aggregating peptides simulations

Autor: Exequiel E. Barrera, Sergio Pantano, Francesco Zonta

Publikováno v: Data in Brief, Vol 36, Iss , Pp 107109- (2021)

This dataset contains a collection of molecular dynamics (MD) simulations of polyglutamine (polyQ) and glutamine-rich (Q-rich) peptides in the multi-microsecond timescale. Primary data from coarse-grained simulations performed using the SIRAH force f

Externí odkaz: https://doaj.org/article/e1afdb4cca2b490bb703d646ae0c4436

Searching for improved mimetic peptides inhibitors preventing conformational transition of amyloid-β

Autor: János, Gera, Titanilla, Szögi, Zsolt, Bozsó, Livia, Fülöp, Exequiel E, Barrera, Ana M, Rodriguez, Luciana, Méndez, Carina M L, Delpiccolo, Ernesto G, Mata, Federica, Cioffi, Kerensa, Broersen, Gabor, Paragi, Ricardo D, Enriz

Publikováno v: Bioorganic chemistry. 81

A series of novel mimetic peptides were designed, synthesised and biologically evaluated as inhibitors of Aβ

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::f5d8ef85c0aeaec228659dc021909d1d
https://pubmed.ncbi.nlm.nih.gov/30144634

Mechanistic and biological characterisation of novel N ⁵ -substituted paullones targeting the biosynthesis of trypanothione in Leishmania .

Autor: Medeiros A; Laboratory Redox Biology of Trypanosomes, Institut Pasteur de Montevideo, Montevideo, Uruguay.; Departamento de Bioquímica, Facultad de Medicina, Universidad de la República, Montevideo, Uruguay., Benítez D; Laboratory Redox Biology of Trypanosomes, Institut Pasteur de Montevideo, Montevideo, Uruguay., Korn RS; Institut für Medizinische und Pharmazeutische Chemie, Technische Universität Braunschweig, Braunschweig, Germany., Ferreira VC; Instituto Gonçalo Moniz (IGM), FIOCRUZ, Salvador, Brazil., Barrera E; Biomolecular Simulations Group, Institut Pasteur de Montevideo, Montevideo, Uruguay., Carrión F; Protein Biophysics Unit, Institut Pasteur de Montevideo, Montevideo, Uruguay., Pritsch O; Protein Biophysics Unit, Institut Pasteur de Montevideo, Montevideo, Uruguay.; Departamento de Inmunobiología, Facultad de Medicina, Universidad de la República, Montevideo, Uruguay., Pantano S; Biomolecular Simulations Group, Institut Pasteur de Montevideo, Montevideo, Uruguay., Kunick C; Institut für Medizinische und Pharmazeutische Chemie, Technische Universität Braunschweig, Braunschweig, Germany., de Oliveira CI; Instituto Gonçalo Moniz (IGM), FIOCRUZ, Salvador, Brazil., Orban OCF; Institut für Medizinische und Pharmazeutische Chemie, Technische Universität Braunschweig, Braunschweig, Germany., Comini MA; Laboratory Redox Biology of Trypanosomes, Institut Pasteur de Montevideo, Montevideo, Uruguay.

Publikováno v: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2020 Dec; Vol. 35 (1), pp. 1345-1358.

Commentary: p31-43 Gliadin Peptide Forms Oligomers and Induces NLRP3 Inflammasome/Caspase 1- Dependent Mucosal Damage in Small Intestine.

Autor: Barrera E; Biomolecular Simulations Group, Institut Pasteur de Montevideo, Montevideo, Uruguay., Chirdo F; Instituto de Estudios Inmunológicos y Fisiopatológicos (UNLP-CONICET), Universidad Nacional de La Plata, La Plata, Argentina., Pantano S; Biomolecular Simulations Group, Institut Pasteur de Montevideo, Montevideo, Uruguay.

Publikováno v: Frontiers in immunology [Front Immunol] 2019 Nov 29; Vol. 10, pp. 2792. Date of Electronic Publication: 2019 Nov 29 (Print Publication: 2019).