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dc.contributor.author
Pérez, Hugo Alejandro
dc.contributor.author
Bustos, Ana Yanina
dc.contributor.author
Taranto, Maria Pia
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Frías, María de los Ángeles
dc.contributor.author
Ledesma, Ana Estela
dc.date.available
2019-08-22T22:43:43Z
dc.date.issued
2018-03
dc.identifier.citation
Pérez, Hugo Alejandro; Bustos, Ana Yanina; Taranto, Maria Pia; Frías, María de los Ángeles; Ledesma, Ana Estela; Effects of lysozyme on the activity of ionic of fluoroquinolone species; Molecular Diversity Preservation International; Molecules; 23; 4; 3-2018; 741-761
dc.identifier.issn
1420-3049
dc.identifier.uri
http://hdl.handle.net/11336/82015
dc.description.abstract
Fluoroquinolones (FQs) constitute an important class of biologically active broad-spectrum antibacterial drugs that are which are in contact with many biological fluids under different acidity conditions. We studied the reactivity of ciprofloxacin (Cpx) and levofloxacin (Lev) and their interaction with lysozyme (Lyz) at different pH values, using UV-visible absorption, fluorescence, infrared spectroscopies supported by DFT calculation and docking. In addition, by antimicrobial assays, the biological consequences of the interaction were evaluated. DFT calculation predicted that the FQ cationic species present at acid pH have lower stabilization energies, with an electric charge rearrangement because of their interactions with solvent molecules. NBO and frontier orbital calculations evidenced the role of two charged centers, NH 2 + and COO − , for interactions by electronic delocalization effects. Both FQs bind to Lyz via a static quenching with a higher interaction in neutral medium. The interaction induces a structural rearrangement in β-sheet content while in basic pH a protective effect against the denaturation of Lyz was inferred. The analysis of thermodynamic parameters and docking showed that hydrophobic, electrostatic forces and hydrogen bond are the responsible of Cpx-Lyz and Lev-Lyz associations. Antimicrobial assays evidenced an antagonist effect of Lyz in acid medium while in neutral medium the FQs’ activities were not modified by Lyz.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Molecular Diversity Preservation International
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Antimicrobial Activity
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Dft Calculations
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Docking
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Fluoroquinolone
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Lysozyme
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Otras Ciencias Químicas
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Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Effects of lysozyme on the activity of ionic of fluoroquinolone species
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2019-07-24T18:02:46Z
dc.journal.volume
23
dc.journal.number
4
dc.journal.pagination
741-761
dc.journal.pais
Suiza
dc.journal.ciudad
Basilea
dc.description.fil
Fil: Pérez, Hugo Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Santiago del Estero. Facultad de Ciencias Exactas y Tecnologías; Argentina
dc.description.fil
Fil: Bustos, Ana Yanina. Universidad Nacional de Santiago del Estero; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Taranto, Maria Pia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Centro de Referencia para Lactobacilos; Argentina
dc.description.fil
Fil: Frías, María de los Ángeles. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Santiago del Estero; Argentina
dc.description.fil
Fil: Ledesma, Ana Estela. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Santiago del Estero; Argentina
dc.journal.title
Molecules
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.mdpi.com/1420-3049/23/4/741
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.3390/molecules23040741


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