Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution

Autores
Jalalvand, Ali R.; Ghobadi, Sirous; Goicoechea, Hector Casimiro; Faramarzi, Elahe; Mahmoudi, Majid
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This work reports the results of an interesting study related to the investigation of interactions of bromocriptine (BCP) with human serum albumin (HSA) by mathematicall modelling of voltammetric and spectroscopic data into an augmented data matrix and its resolution by multivariate curve resolution-alternating least squares (MCR-ALS). The quality of the results obtained by MCR-ALS was examined by MCR-BANDS and its outputs confirmed the absence of rotational ambiguities in the MCR-ALS results. BCP-HSA interactions were also modeled by molecular docking methods to verify the results obtained from experimental sections and fortunately, they were compatible. Hard modeling of the experimental data by EQUISPEC helped us to calculate the binding constant of the complex formed from BCP-HSA interactions which was in a good agreement with that of calculated from direct analysis of the experimental data. Finally, with the help of two different amperometric measurements based on BCP-HSA interactions a novel electroanalytical method was developed for biosensing of HSA in serum samples.
Fil: Jalalvand, Ali R.. Kermanshah University of Medical Sciences; Irán
Fil: Ghobadi, Sirous. Kermanshah University of Medical Sciences; Irán
Fil: Goicoechea, Hector Casimiro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Laboratorio de Desarrollo Analítico y Quimiometría; Argentina
Fil: Faramarzi, Elahe. Kermanshah University of Medical Sciences; Irán
Fil: Mahmoudi, Majid. Kermanshah University of Medical Sciences; Irán
Materia
ANALYTICAL CHEMISTRY
BROMOCRIPTINE
ELECTROCHEMISTRY
HUMAN SERUM ALBUMIN
INTERACTIONS
MATRIX AUGMENTATION
PHARMACEUTICAL CHEMISTRY
THEORETICAL CHEMISTRY
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:11336/139624
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/139624
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolutionJalalvand, Ali R.Ghobadi, SirousGoicoechea, Hector CasimiroFaramarzi, ElaheMahmoudi, MajidANALYTICAL CHEMISTRYBROMOCRIPTINEELECTROCHEMISTRYHUMAN SERUM ALBUMININTERACTIONSMATRIX AUGMENTATIONPHARMACEUTICAL CHEMISTRYTHEORETICAL CHEMISTRYhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1This work reports the results of an interesting study related to the investigation of interactions of bromocriptine (BCP) with human serum albumin (HSA) by mathematicall modelling of voltammetric and spectroscopic data into an augmented data matrix and its resolution by multivariate curve resolution-alternating least squares (MCR-ALS). The quality of the results obtained by MCR-ALS was examined by MCR-BANDS and its outputs confirmed the absence of rotational ambiguities in the MCR-ALS results. BCP-HSA interactions were also modeled by molecular docking methods to verify the results obtained from experimental sections and fortunately, they were compatible. Hard modeling of the experimental data by EQUISPEC helped us to calculate the binding constant of the complex formed from BCP-HSA interactions which was in a good agreement with that of calculated from direct analysis of the experimental data. Finally, with the help of two different amperometric measurements based on BCP-HSA interactions a novel electroanalytical method was developed for biosensing of HSA in serum samples.Fil: Jalalvand, Ali R.. Kermanshah University of Medical Sciences; IránFil: Ghobadi, Sirous. Kermanshah University of Medical Sciences; IránFil: Goicoechea, Hector Casimiro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Laboratorio de Desarrollo Analítico y Quimiometría; ArgentinaFil: Faramarzi, Elahe. Kermanshah University of Medical Sciences; IránFil: Mahmoudi, Majid. Kermanshah University of Medical Sciences; IránElsevier2019-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/139624Jalalvand, Ali R.; Ghobadi, Sirous; Goicoechea, Hector Casimiro; Faramarzi, Elahe; Mahmoudi, Majid; Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution; Elsevier; Heliyon; 5; 7; 7-2019; 1-11; e021532405-8440CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.cell.com/heliyon/fulltext/S2405-8440(19)35813-Xinfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.heliyon.2019.e02153info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:06:57Zoai:ri.conicet.gov.ar:11336/139624instacron: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:34982025-09-29 10:06:57.641CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution
title Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution
spellingShingle Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution
Jalalvand, Ali R.
ANALYTICAL CHEMISTRY
BROMOCRIPTINE
ELECTROCHEMISTRY
HUMAN SERUM ALBUMIN
INTERACTIONS
MATRIX AUGMENTATION
PHARMACEUTICAL CHEMISTRY
THEORETICAL CHEMISTRY
title_short Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution
title_full Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution
title_fullStr Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution
title_full_unstemmed Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution
title_sort Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution
dc.creator.none.fl_str_mv Jalalvand, Ali R.
Ghobadi, Sirous
Goicoechea, Hector Casimiro
Faramarzi, Elahe
Mahmoudi, Majid
author Jalalvand, Ali R.
author_facet Jalalvand, Ali R.
Ghobadi, Sirous
Goicoechea, Hector Casimiro
Faramarzi, Elahe
Mahmoudi, Majid
author_role author
author2 Ghobadi, Sirous
Goicoechea, Hector Casimiro
Faramarzi, Elahe
Mahmoudi, Majid
author2_role author
author
author
author
dc.subject.none.fl_str_mv ANALYTICAL CHEMISTRY
BROMOCRIPTINE
ELECTROCHEMISTRY
HUMAN SERUM ALBUMIN
INTERACTIONS
MATRIX AUGMENTATION
PHARMACEUTICAL CHEMISTRY
THEORETICAL CHEMISTRY
topic ANALYTICAL CHEMISTRY
BROMOCRIPTINE
ELECTROCHEMISTRY
HUMAN SERUM ALBUMIN
INTERACTIONS
MATRIX AUGMENTATION
PHARMACEUTICAL CHEMISTRY
THEORETICAL CHEMISTRY
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv This work reports the results of an interesting study related to the investigation of interactions of bromocriptine (BCP) with human serum albumin (HSA) by mathematicall modelling of voltammetric and spectroscopic data into an augmented data matrix and its resolution by multivariate curve resolution-alternating least squares (MCR-ALS). The quality of the results obtained by MCR-ALS was examined by MCR-BANDS and its outputs confirmed the absence of rotational ambiguities in the MCR-ALS results. BCP-HSA interactions were also modeled by molecular docking methods to verify the results obtained from experimental sections and fortunately, they were compatible. Hard modeling of the experimental data by EQUISPEC helped us to calculate the binding constant of the complex formed from BCP-HSA interactions which was in a good agreement with that of calculated from direct analysis of the experimental data. Finally, with the help of two different amperometric measurements based on BCP-HSA interactions a novel electroanalytical method was developed for biosensing of HSA in serum samples.
Fil: Jalalvand, Ali R.. Kermanshah University of Medical Sciences; Irán
Fil: Ghobadi, Sirous. Kermanshah University of Medical Sciences; Irán
Fil: Goicoechea, Hector Casimiro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Laboratorio de Desarrollo Analítico y Quimiometría; Argentina
Fil: Faramarzi, Elahe. Kermanshah University of Medical Sciences; Irán
Fil: Mahmoudi, Majid. Kermanshah University of Medical Sciences; Irán
description This work reports the results of an interesting study related to the investigation of interactions of bromocriptine (BCP) with human serum albumin (HSA) by mathematicall modelling of voltammetric and spectroscopic data into an augmented data matrix and its resolution by multivariate curve resolution-alternating least squares (MCR-ALS). The quality of the results obtained by MCR-ALS was examined by MCR-BANDS and its outputs confirmed the absence of rotational ambiguities in the MCR-ALS results. BCP-HSA interactions were also modeled by molecular docking methods to verify the results obtained from experimental sections and fortunately, they were compatible. Hard modeling of the experimental data by EQUISPEC helped us to calculate the binding constant of the complex formed from BCP-HSA interactions which was in a good agreement with that of calculated from direct analysis of the experimental data. Finally, with the help of two different amperometric measurements based on BCP-HSA interactions a novel electroanalytical method was developed for biosensing of HSA in serum samples.
publishDate 2019
dc.date.none.fl_str_mv 2019-07
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/11336/139624
Jalalvand, Ali R.; Ghobadi, Sirous; Goicoechea, Hector Casimiro; Faramarzi, Elahe; Mahmoudi, Majid; Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution; Elsevier; Heliyon; 5; 7; 7-2019; 1-11; e02153
2405-8440
CONICET Digital
CONICET
url http://hdl.handle.net/11336/139624
identifier_str_mv Jalalvand, Ali R.; Ghobadi, Sirous; Goicoechea, Hector Casimiro; Faramarzi, Elahe; Mahmoudi, Majid; Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution; Elsevier; Heliyon; 5; 7; 7-2019; 1-11; e02153
2405-8440
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.cell.com/heliyon/fulltext/S2405-8440(19)35813-X
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.heliyon.2019.e02153
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
publisher.none.fl_str_mv Elsevier
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_ 1844613923803758592
score 13.070432

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