Search Results - "Barrera Guisasola Exequiel"

Pentameric models as alternative molecular targets for the design of new antiaggregant agents by Barrera Guisasola, Exequiel E, Gutierrez, Lucas J, Andujar, Sebastián A, Angelina, Emilio, Rodríguez, Ana M, Enriz, Ricardo D

“…The structure-based drug design has been an extremely useful technique used for searching and developing of new therapeutic agents in various biological…”
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Dynamic function of the alkyl spacer of acetogenins as potent inhibitors of mitochondrial complex I. A molecular dynamics simulation approach by Bombasaro, José Abel, Guisasola, Exequiel Ernesto Barrera, Masman, Marcelo Fabricio, Zamora, Miguel Angel, Rodríguez, Ana María

“…Acetogenins are among the most potent of the known inhibitors of complex I (NADH-ubiquinone oxidoreductase) in mitochondrial electron transfer system…”
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Structure of isolated tyrosyl-glycyl-glycine tripeptide. A comparative conformational study with peptides containing an aromatic ring by Barrera Guisasola Exequiel, Masman Marcelo, Enriz Ricardo, Rodríguez Ana

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New mimetic peptides inhibitors of Αβ aggregation. Molecular guidance for rational drug design by Barrera Guisasola, Exequiel E., Andujar, Sebastián A., Hubin, Ellen, Broersen, Kerensa, Kraan, Ivonne M., Méndez, Luciana, Delpiccolo, Carina M.L., Masman, Marcelo F., Rodríguez, Ana M., Enriz, Ricardo D.

“…A new series of mimetic peptides possessing a significant Aβ aggregation modulating effect was reported here. These compounds were obtained based on a…”
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A QM/MM study of the molecular recognition site of bapineuzumab toward the amyloid-β peptide isoforms by Gutierrez, Lucas J., Barrera Guisasola, Exequiel E., Peruchena, Nelida, Enriz, Ricardo D.

“…The molecular mechanism of recognition of amyloid-beta (Aβ) peptide isoforms by bapineuzumab was studied using a quantum mechanics and molecular mechanics…”
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Conformational transition of Aβ42 inhibited by a mimetic peptide. A molecular modeling study using QM/MM calculations and QTAIM analysis by Barrera Guisasola, Exequiel E., Gutiérrez, Lucas J., Salcedo, Rodrigo E., Garibotto, Francisco M., Andujar, Sebastián A., Enriz, Ricardo D., Rodríguez, Ana M.

“…[Display omitted] •Inhibition of the conformational transition of Aβ42 by DZK mimetic peptide.•Combined ONIOM–QTAIM analysis identifies relevant interactions…”
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Conformational transition of Aβ 42 inhibited by a mimetic peptide. A molecular modeling study using QM/MM calculations and QTAIM analysis by Barrera Guisasola, Exequiel E., Gutiérrez, Lucas J., Salcedo, Rodrigo E., Garibotto, Francisco M., Andujar, Sebastián A., Enriz, Ricardo D., Rodríguez, Ana M.

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