Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Exequiel Ernesto Barrera Guisasola"'
Autor:
Exequiel Ernesto Barrera Guisasola, Nelida Maria Peruchena, Ricardo D. Enriz, Lucas J. Gutierrez
Publikováno v:
Molecular Simulation. 42:196-207
The molecular mechanism of recognition of amyloid-beta (Aβ) peptide isoforms by bapineuzumab was studied using a quantum mechanics and molecular mechanics (QM/MM) method. In this work, geometric optimisations were performed using the ONIOM2 scheme (
Autor:
Ricardo D. Enriz, Lucas J. Gutierrez, Francisco Matías Garibotto, Sebastian A. Andujar, Rodrigo Emiliano Salcedo, Ana M. Rodríguez, Exequiel Ernesto Barrera Guisasola
The main pathogenic event in Alzheimer's disease is believed to be the aggregation of the amyloid β-peptides into toxic aggregates. In a previous work we designed a mimetic peptide possessing a significant aggregation modulating effect by means of a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::44b959ec43edec5a269f789791b09602
https://www.sciencedirect.com/science/article/pii/S2210271X16300159
https://www.sciencedirect.com/science/article/pii/S2210271X16300159
Autor:
Sebastian A. Andujar, Kerensa Broersen, Ana M. Rodríguez, Carina M. L. Delpiccolo, Ellen Hubin, Luciana Méndez, Exequiel Ernesto Barrera Guisasola, Ivonne M. Kraan, Ricardo D. Enriz, Marcelo F. Masman
Publikováno v:
European journal of medicinal chemistry, 95, 136-152. Elsevier
European Journal of Medicinal Chemistry, 95, 136-152. ELSEVIER MASSON, CORPORATION OFFICE
European Journal of Medicinal Chemistry, 95, 136-152. ELSEVIER MASSON, CORPORATION OFFICE
A new series of mimetic peptides possessing a significant Aβ aggregation modulating effect was reported here. These compounds were obtained based on a molecular modelling study which allowed us to perform a structural-based virtual selection. Monito
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b77bd0d5748c1535c19f6e80a14e0e88
https://research.utwente.nl/en/publications/b38f8a2d-3753-4e48-bc1b-8e15cb5db2e0
https://research.utwente.nl/en/publications/b38f8a2d-3753-4e48-bc1b-8e15cb5db2e0
Autor:
Exequiel Ernesto Barrera Guisasola, Ana Rodriguez, Emilio Angelina, Ricardo D. Enriz, Sebastian A. Andujar, Lucas J. Gutierrez
Publikováno v:
Current proteinpeptide science. 17(2)
The structure-based drug design has been an extremely useful technique used for searching and developing of new therapeutic agents in various biological systems. In the case of AD, this approach has been difficult to implement. Among other several ca
Autor:
José Abel Bombasaro, Marcelo F. Masman, Ana M. Rodríguez, M.A. Zamora, Exequiel Ernesto Barrera Guisasola
Publikováno v:
Medicinal chemistry (Shariqah (United Arab Emirates)). 9(7)
Acetogenins are among the most potent of the known inhibitors of complex I (NADH-ubiquinone oxidoreductase) in mitochondrial electron transfer system. Elucidation of the dynamic function of the alkyl spacer linking the two toxophores (i.e., the hydro
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Open Chemistry, Vol 8, Iss 3, Pp 566-575 (2010)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Open Chemistry, Vol 8, Iss 3, Pp 566-575 (2010)
The potential energy surface (PES) of tyrosyl-glycyl-glycine (YGG) tripeptide in solution was explored using EDMC (Electrostatically Driven Monte Carlo) and in the gas-phase by means of ab initio quantum chemical calculations. The theoretical computa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1f48a3b4f740134a4d6c94505f226c67
https://www.degruyter.com/document/doi/10.2478/s11532-010-0015-1/html
https://www.degruyter.com/document/doi/10.2478/s11532-010-0015-1/html