Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing

Autores
Jalalvand, Ali R.; Ghobadi, Sirous; Goicoechea, Hector Casimiro; Gu, Hui Wen; Sanchooli, Esmael
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work, voltammetric data recorded at a glassy carbon electrode (GCE) were separately used to investigate the interactions of entacapone (Comtan, CAT) with human serum albumin (HSA). Then, an augmented data matrix was constructed by the combination of voltammetric and spectroscopic data and simultaneously analysed by multivariate curve resolution-alternating least squares (MCR-ALS) to obtain more information about CAT-HSA interactions. The absence of rotational ambiguities in results obtained by MCR-ALS was verified with the help of MCR-BANDS and we confirmed that the results were unambiguous and reliable. Binding of CAT to HSA was also modeled by molecular docking and the results were compatible with those of obtained by recording experimental data. Hard-modeling of combined voltammetric and spectroscopic data by EQUISPEC as an efficient chemometric algorithm helped us to compute binding constant of CAT-HSA complex specie which was in a good agreement with the binding constant value obtained by direct analysis of experimental data. For electrochemical sensing of serum albumin two amperometric measurements were performed to determine HSA in 2–27 nM and 27–70 nM with a limit of detection of 0.51 nM and a sensitivity of 1.84 μA nM−1.
Fil: Jalalvand, Ali R.. Kermanshah University of Medical Sciences; Irán
Fil: Ghobadi, Sirous. Razi University; Irán
Fil: Goicoechea, Hector Casimiro. Universidad Nacional del Litoral; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Gu, Hui Wen. Yangtze University; China
Fil: Sanchooli, Esmael. University of Zabol; Irán
Materia
COMTAN
HUMAN SERUM ALBUMIN
INTERACTION
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/84886
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/84886
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensingJalalvand, Ali R.Ghobadi, SirousGoicoechea, Hector CasimiroGu, Hui WenSanchooli, EsmaelCOMTANHUMAN SERUM ALBUMININTERACTIONhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In this work, voltammetric data recorded at a glassy carbon electrode (GCE) were separately used to investigate the interactions of entacapone (Comtan, CAT) with human serum albumin (HSA). Then, an augmented data matrix was constructed by the combination of voltammetric and spectroscopic data and simultaneously analysed by multivariate curve resolution-alternating least squares (MCR-ALS) to obtain more information about CAT-HSA interactions. The absence of rotational ambiguities in results obtained by MCR-ALS was verified with the help of MCR-BANDS and we confirmed that the results were unambiguous and reliable. Binding of CAT to HSA was also modeled by molecular docking and the results were compatible with those of obtained by recording experimental data. Hard-modeling of combined voltammetric and spectroscopic data by EQUISPEC as an efficient chemometric algorithm helped us to compute binding constant of CAT-HSA complex specie which was in a good agreement with the binding constant value obtained by direct analysis of experimental data. For electrochemical sensing of serum albumin two amperometric measurements were performed to determine HSA in 2–27 nM and 27–70 nM with a limit of detection of 0.51 nM and a sensitivity of 1.84 μA nM−1.Fil: Jalalvand, Ali R.. Kermanshah University of Medical Sciences; IránFil: Ghobadi, Sirous. Razi University; IránFil: Goicoechea, Hector Casimiro. Universidad Nacional del Litoral; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Gu, Hui Wen. Yangtze University; ChinaFil: Sanchooli, Esmael. University of Zabol; IránElsevier Science Sa2018-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/84886Jalalvand, Ali R.; Ghobadi, Sirous; Goicoechea, Hector Casimiro; Gu, Hui Wen; Sanchooli, Esmael; Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing; Elsevier Science Sa; Bioelectrochemistry; 123; 10-2018; 162-1721567-5394CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.bioelechem.2018.05.008info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1567539418301622info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:50:33Zoai:ri.conicet.gov.ar:11336/84886instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:50:33.776CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing
title Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing
spellingShingle Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing
Jalalvand, Ali R.
COMTAN
HUMAN SERUM ALBUMIN
INTERACTION
title_short Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing
title_full Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing
title_fullStr Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing
title_full_unstemmed Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing
title_sort Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing
dc.creator.none.fl_str_mv Jalalvand, Ali R.
Ghobadi, Sirous
Goicoechea, Hector Casimiro
Gu, Hui Wen
Sanchooli, Esmael
author Jalalvand, Ali R.
author_facet Jalalvand, Ali R.
Ghobadi, Sirous
Goicoechea, Hector Casimiro
Gu, Hui Wen
Sanchooli, Esmael
author_role author
author2 Ghobadi, Sirous
Goicoechea, Hector Casimiro
Gu, Hui Wen
Sanchooli, Esmael
author2_role author
author
author
author
dc.subject.none.fl_str_mv COMTAN
HUMAN SERUM ALBUMIN
INTERACTION
topic COMTAN
HUMAN SERUM ALBUMIN
INTERACTION
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this work, voltammetric data recorded at a glassy carbon electrode (GCE) were separately used to investigate the interactions of entacapone (Comtan, CAT) with human serum albumin (HSA). Then, an augmented data matrix was constructed by the combination of voltammetric and spectroscopic data and simultaneously analysed by multivariate curve resolution-alternating least squares (MCR-ALS) to obtain more information about CAT-HSA interactions. The absence of rotational ambiguities in results obtained by MCR-ALS was verified with the help of MCR-BANDS and we confirmed that the results were unambiguous and reliable. Binding of CAT to HSA was also modeled by molecular docking and the results were compatible with those of obtained by recording experimental data. Hard-modeling of combined voltammetric and spectroscopic data by EQUISPEC as an efficient chemometric algorithm helped us to compute binding constant of CAT-HSA complex specie which was in a good agreement with the binding constant value obtained by direct analysis of experimental data. For electrochemical sensing of serum albumin two amperometric measurements were performed to determine HSA in 2–27 nM and 27–70 nM with a limit of detection of 0.51 nM and a sensitivity of 1.84 μA nM−1.
Fil: Jalalvand, Ali R.. Kermanshah University of Medical Sciences; Irán
Fil: Ghobadi, Sirous. Razi University; Irán
Fil: Goicoechea, Hector Casimiro. Universidad Nacional del Litoral; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Gu, Hui Wen. Yangtze University; China
Fil: Sanchooli, Esmael. University of Zabol; Irán
description In this work, voltammetric data recorded at a glassy carbon electrode (GCE) were separately used to investigate the interactions of entacapone (Comtan, CAT) with human serum albumin (HSA). Then, an augmented data matrix was constructed by the combination of voltammetric and spectroscopic data and simultaneously analysed by multivariate curve resolution-alternating least squares (MCR-ALS) to obtain more information about CAT-HSA interactions. The absence of rotational ambiguities in results obtained by MCR-ALS was verified with the help of MCR-BANDS and we confirmed that the results were unambiguous and reliable. Binding of CAT to HSA was also modeled by molecular docking and the results were compatible with those of obtained by recording experimental data. Hard-modeling of combined voltammetric and spectroscopic data by EQUISPEC as an efficient chemometric algorithm helped us to compute binding constant of CAT-HSA complex specie which was in a good agreement with the binding constant value obtained by direct analysis of experimental data. For electrochemical sensing of serum albumin two amperometric measurements were performed to determine HSA in 2–27 nM and 27–70 nM with a limit of detection of 0.51 nM and a sensitivity of 1.84 μA nM−1.
publishDate 2018
dc.date.none.fl_str_mv 2018-10
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/84886
Jalalvand, Ali R.; Ghobadi, Sirous; Goicoechea, Hector Casimiro; Gu, Hui Wen; Sanchooli, Esmael; Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing; Elsevier Science Sa; Bioelectrochemistry; 123; 10-2018; 162-172
1567-5394
CONICET Digital
CONICET
url http://hdl.handle.net/11336/84886
identifier_str_mv Jalalvand, Ali R.; Ghobadi, Sirous; Goicoechea, Hector Casimiro; Gu, Hui Wen; Sanchooli, Esmael; Investigation of interactions of Comtan with human serum albumin by mathematically modeled voltammetric data: A study from bio-interaction to biosensing; Elsevier Science Sa; Bioelectrochemistry; 123; 10-2018; 162-172
1567-5394
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.bioelechem.2018.05.008
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1567539418301622
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science Sa
publisher.none.fl_str_mv Elsevier Science Sa
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1842269038514798592
score 13.13397

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