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dc.contributor.author
Zamarreño, Fernando
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dc.contributor.author
Herrera, Fernando Enrique
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dc.contributor.author
Córsico, Betina
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dc.contributor.author
Costabel, Marcelo Daniel
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dc.date.available
2019-08-27T19:13:35Z
dc.date.issued
2012-07
dc.identifier.citation
Zamarreño, Fernando; Herrera, Fernando Enrique; Córsico, Betina; Costabel, Marcelo Daniel; Similar structures but different mechanisms: Prediction of FABPs-membrane interaction by electrostatic calculation; Elsevier Science; Biochimica et Biophysica Acta - Biomembranes; 1818; 7; 7-2012; 1691-1697
dc.identifier.issn
0005-2736
dc.identifier.uri
http://hdl.handle.net/11336/82290
dc.description.abstract
The role of fatty acid binding proteins as intracellular fatty acid transporters may require their direct interaction with membranes. In this way different mechanisms have been previously characterized through experimental studies suggesting different models for FABPs-membrane association, although the process in which the molecule adsorbs to the membrane remains to be elucidated. To estimate the importance of the electrostatic energy in the FABP-membrane interaction, we computationally modeled the interaction of different FABPs with both anionic and neutral membranes. Free Electrostatic Energy of Binding (dE), was computed using Finite Difference Poisson Boltzmann Equation (FDPB) method as implemented in APBS (Adaptive Poisson Boltzmann Solver). Based on the computational analysis, it is found that recruitment to membranes is facilitated by non-specific electrostatic interactions. Also energetic analysis can quantitatively differentiate among the mechanisms of membrane association proposed and determinate the most energetically favorable configuration for the membrane-associated states of different FABPs. This type of calculations could provide a starting point for further computational or experimental analysis.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Biomolecular Modeling
dc.subject
Electrostatic Interaction
dc.subject
Fatty Acid Binding Protein
dc.subject
Molecular Dynamics Simulation
dc.subject
Protein-Membrane Interaction
dc.subject
Structure-Function Relation
dc.title
Similar structures but different mechanisms: Prediction of FABPs-membrane interaction by electrostatic calculation
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2019-05-06T14:43:42Z
dc.journal.volume
1818
dc.journal.number
7
dc.journal.pagination
1691-1697
dc.journal.pais
Países Bajos
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dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Zamarreño, Fernando. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Sur. Departamento de Física; Argentina
dc.description.fil
Fil: Herrera, Fernando Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina
dc.description.fil
Fil: Córsico, Betina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Bioquímicas de La Plata "Prof. Dr. Rodolfo R. Brenner". Universidad Nacional de la Plata. Facultad de Ciencias Médicas. Instituto de Investigaciones Bioquímicas de La Plata "Prof. Dr. Rodolfo R. Brenner"; Argentina
dc.description.fil
Fil: Costabel, Marcelo Daniel. Universidad Nacional del Sur. Departamento de Física; Argentina
dc.journal.title
Biochimica et Biophysica Acta - Biomembranes
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0005273612000831
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.bbamem.2012.03.003
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