Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin

Autores
Jalalvand, Ali R.; Ghobadi, Sirous; Akbari, Vali; Goicoechea, Hector Casimiro; Faramarzi, Elahe; Mahmoudi, Majid
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work, we are going to study the interactions of cabergoline (CBG) with human serum albumin (HSA) by mathematical modeling of voltammetric and spectroscopic data. To achieve this goal, voltammetric and spectroscopic data will be augmented into a data matrix which will be resolved by multivariate curve resolution-alternating least squares (MCR-ALS) as a powerful chemometric tool. Then, the quality of the data fitting by MCR-ALS will be examined by MCR-BANDS to ensure about the absence of the rotational ambiguities in the results. Molecular docking will also be used to model the interactions of CBG with HSA for verifying the results obtained from experimental methods. Hard-modeling of the experimental data will be performed by EQUISPEC to compute the binding constant of the complex formed from the interactions of CBG with HSA for verifying the binding constant obtained by direct analysis of the experimental data. Finally, two chrono-amperometric measurements based on CBG-HSA interactions will be performed to develop a novel electroanalytical method for determination of electro-inactive HSA.
Fil: Jalalvand, Ali R.. Kermanshah University of Medical Sciences; Irán
Fil: Ghobadi, Sirous. Razi University; Irán
Fil: Akbari, Vali. Razi University; Irán. 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
CABERGOLINE
DETERMINATION
HUMAN SERUM ALBUMIN
INTERACTIONS
MULTIVARIATE ANALYSIS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/139627
Acceder
id CONICETDig_05e837946a11befde1040f513d452b57
oai_identifier_str oai:ri.conicet.gov.ar:11336/139627
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albuminJalalvand, Ali R.Ghobadi, SirousAkbari, ValiGoicoechea, Hector CasimiroFaramarzi, ElaheMahmoudi, MajidCABERGOLINEDETERMINATIONHUMAN SERUM ALBUMININTERACTIONSMULTIVARIATE ANALYSIShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In this work, we are going to study the interactions of cabergoline (CBG) with human serum albumin (HSA) by mathematical modeling of voltammetric and spectroscopic data. To achieve this goal, voltammetric and spectroscopic data will be augmented into a data matrix which will be resolved by multivariate curve resolution-alternating least squares (MCR-ALS) as a powerful chemometric tool. Then, the quality of the data fitting by MCR-ALS will be examined by MCR-BANDS to ensure about the absence of the rotational ambiguities in the results. Molecular docking will also be used to model the interactions of CBG with HSA for verifying the results obtained from experimental methods. Hard-modeling of the experimental data will be performed by EQUISPEC to compute the binding constant of the complex formed from the interactions of CBG with HSA for verifying the binding constant obtained by direct analysis of the experimental data. Finally, two chrono-amperometric measurements based on CBG-HSA interactions will be performed to develop a novel electroanalytical method for determination of electro-inactive HSA.Fil: Jalalvand, Ali R.. Kermanshah University of Medical Sciences; IránFil: Ghobadi, Sirous. Razi University; IránFil: Akbari, Vali. Razi University; Irán. 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; IránElsevier2019-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/139627Jalalvand, Ali R.; Ghobadi, Sirous; Akbari, Vali; Goicoechea, Hector Casimiro; Faramarzi, Elahe; et al.; Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin; Elsevier; Sensing and Bio-Sensing Research; 25; 9-2019; 1-12; 1002972214-1804CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.sbsr.2019.100297info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S2214180419300972info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:56:05Zoai:ri.conicet.gov.ar:11336/139627instacron: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 09:56:06.016CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin
title Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin
spellingShingle Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin
Jalalvand, Ali R.
CABERGOLINE
DETERMINATION
HUMAN SERUM ALBUMIN
INTERACTIONS
MULTIVARIATE ANALYSIS
title_short Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin
title_full Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin
title_fullStr Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin
title_full_unstemmed Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin
title_sort Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin
dc.creator.none.fl_str_mv Jalalvand, Ali R.
Ghobadi, Sirous
Akbari, Vali
Goicoechea, Hector Casimiro
Faramarzi, Elahe
Mahmoudi, Majid
author Jalalvand, Ali R.
author_facet Jalalvand, Ali R.
Ghobadi, Sirous
Akbari, Vali
Goicoechea, Hector Casimiro
Faramarzi, Elahe
Mahmoudi, Majid
author_role author
author2 Ghobadi, Sirous
Akbari, Vali
Goicoechea, Hector Casimiro
Faramarzi, Elahe
Mahmoudi, Majid
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv CABERGOLINE
DETERMINATION
HUMAN SERUM ALBUMIN
INTERACTIONS
MULTIVARIATE ANALYSIS
topic CABERGOLINE
DETERMINATION
HUMAN SERUM ALBUMIN
INTERACTIONS
MULTIVARIATE ANALYSIS
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, we are going to study the interactions of cabergoline (CBG) with human serum albumin (HSA) by mathematical modeling of voltammetric and spectroscopic data. To achieve this goal, voltammetric and spectroscopic data will be augmented into a data matrix which will be resolved by multivariate curve resolution-alternating least squares (MCR-ALS) as a powerful chemometric tool. Then, the quality of the data fitting by MCR-ALS will be examined by MCR-BANDS to ensure about the absence of the rotational ambiguities in the results. Molecular docking will also be used to model the interactions of CBG with HSA for verifying the results obtained from experimental methods. Hard-modeling of the experimental data will be performed by EQUISPEC to compute the binding constant of the complex formed from the interactions of CBG with HSA for verifying the binding constant obtained by direct analysis of the experimental data. Finally, two chrono-amperometric measurements based on CBG-HSA interactions will be performed to develop a novel electroanalytical method for determination of electro-inactive HSA.
Fil: Jalalvand, Ali R.. Kermanshah University of Medical Sciences; Irán
Fil: Ghobadi, Sirous. Razi University; Irán
Fil: Akbari, Vali. Razi University; Irán. 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 In this work, we are going to study the interactions of cabergoline (CBG) with human serum albumin (HSA) by mathematical modeling of voltammetric and spectroscopic data. To achieve this goal, voltammetric and spectroscopic data will be augmented into a data matrix which will be resolved by multivariate curve resolution-alternating least squares (MCR-ALS) as a powerful chemometric tool. Then, the quality of the data fitting by MCR-ALS will be examined by MCR-BANDS to ensure about the absence of the rotational ambiguities in the results. Molecular docking will also be used to model the interactions of CBG with HSA for verifying the results obtained from experimental methods. Hard-modeling of the experimental data will be performed by EQUISPEC to compute the binding constant of the complex formed from the interactions of CBG with HSA for verifying the binding constant obtained by direct analysis of the experimental data. Finally, two chrono-amperometric measurements based on CBG-HSA interactions will be performed to develop a novel electroanalytical method for determination of electro-inactive HSA.
publishDate 2019
dc.date.none.fl_str_mv 2019-09
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/11336/139627
Jalalvand, Ali R.; Ghobadi, Sirous; Akbari, Vali; Goicoechea, Hector Casimiro; Faramarzi, Elahe; et al.; Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin; Elsevier; Sensing and Bio-Sensing Research; 25; 9-2019; 1-12; 100297
2214-1804
CONICET Digital
CONICET
url http://hdl.handle.net/11336/139627
identifier_str_mv Jalalvand, Ali R.; Ghobadi, Sirous; Akbari, Vali; Goicoechea, Hector Casimiro; Faramarzi, Elahe; et al.; Mathematical modeling of interactions of cabergoline with human serum albumin for biosensing of human serum albumin; Elsevier; Sensing and Bio-Sensing Research; 25; 9-2019; 1-12; 100297
2214-1804
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.sbsr.2019.100297
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S2214180419300972
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/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_ 1842269383844429824
score 13.13397

Publicaciones similares