Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting secon...

Autores
Mohamady, Asma; Shahlaei, Mohsen; Akbari, Vali; Goicoechea, Hector Casimiro; Jalalvand, Ali R.
Año de publicación
2021
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this paper, we have collected useful information about interactions of dapagliflozin (DPA) with normal human serum albumin (HSA) and glycated HSA (GHSA) by using spectroscopic and electrochemical methods. Instrumental data were analyzed by graphical and conventional methods and then, the data were mathematically modeled and simultaneously analyzed by multivariate curve resolution-alternating least squares (MCR-ALS). Hard-modeling algorithm of the data helped us to obtain qualitative and quantitative information to cast a deep look at the interactions of the DPA with HSA and GHSA. The results of MCR-BANDS showed that the MCR-ALS gave us unambiguous and reliable results. Afterwards, molecular docking techniques were used to investigate binding of the DPA with HSA and GHSA to obtain new information and to complete the previous findings. The DPA was bound with HSA and GHSA with different binding strengths. Fortunately, the results were compatible and confirmed each other. Finally, according to the results of interaction and binding of the DPA with HSA and GHSA, a second-order calibration model was developed with aim of exploiting second-order advantage for determination of the GHSA in the presence of HSA as uncalibrated interference. The developed method had a good performance for determination of the GHSA in both of synthetic and real samples.
Fil: Mohamady, Asma. Kermanshah University Of Medical Sciences; Irán
Fil: Shahlaei, Mohsen. Kermanshah University Of Medical Sciences; Irán
Fil: Akbari, Vali. 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: Jalalvand, Ali R.. Kermanshah University Of Medical Sciences; Irán
Materia
DAPAGLIFLOZIN
DETERMINATION
GHSA
HSA
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:11336/164790
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetesMohamady, AsmaShahlaei, MohsenAkbari, ValiGoicoechea, Hector CasimiroJalalvand, Ali R.DAPAGLIFLOZINDETERMINATIONGHSAHSAINTERACTIONhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In this paper, we have collected useful information about interactions of dapagliflozin (DPA) with normal human serum albumin (HSA) and glycated HSA (GHSA) by using spectroscopic and electrochemical methods. Instrumental data were analyzed by graphical and conventional methods and then, the data were mathematically modeled and simultaneously analyzed by multivariate curve resolution-alternating least squares (MCR-ALS). Hard-modeling algorithm of the data helped us to obtain qualitative and quantitative information to cast a deep look at the interactions of the DPA with HSA and GHSA. The results of MCR-BANDS showed that the MCR-ALS gave us unambiguous and reliable results. Afterwards, molecular docking techniques were used to investigate binding of the DPA with HSA and GHSA to obtain new information and to complete the previous findings. The DPA was bound with HSA and GHSA with different binding strengths. Fortunately, the results were compatible and confirmed each other. Finally, according to the results of interaction and binding of the DPA with HSA and GHSA, a second-order calibration model was developed with aim of exploiting second-order advantage for determination of the GHSA in the presence of HSA as uncalibrated interference. The developed method had a good performance for determination of the GHSA in both of synthetic and real samples.Fil: Mohamady, Asma. Kermanshah University Of Medical Sciences; IránFil: Shahlaei, Mohsen. Kermanshah University Of Medical Sciences; IránFil: Akbari, Vali. 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: Jalalvand, Ali R.. Kermanshah University Of Medical Sciences; IránElsevier Science2021-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/164790Mohamady, Asma; Shahlaei, Mohsen; Akbari, Vali; Goicoechea, Hector Casimiro; Jalalvand, Ali R.; Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes; Elsevier Science; Microchemical Journal; 167; 8-2021; 1-350026-265XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0026265X21003970info:eu-repo/semantics/altIdentifier/doi/10.1016/j.microc.2021.106313info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:17:10Zoai:ri.conicet.gov.ar:11336/164790instacron: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:34982025-09-10 13:17:10.335CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes
title Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes
spellingShingle Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes
Mohamady, Asma
DAPAGLIFLOZIN
DETERMINATION
GHSA
HSA
INTERACTION
title_short Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes
title_full Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes
title_fullStr Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes
title_full_unstemmed Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes
title_sort Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes
dc.creator.none.fl_str_mv Mohamady, Asma
Shahlaei, Mohsen
Akbari, Vali
Goicoechea, Hector Casimiro
Jalalvand, Ali R.
author Mohamady, Asma
author_facet Mohamady, Asma
Shahlaei, Mohsen
Akbari, Vali
Goicoechea, Hector Casimiro
Jalalvand, Ali R.
author_role author
author2 Shahlaei, Mohsen
Akbari, Vali
Goicoechea, Hector Casimiro
Jalalvand, Ali R.
author2_role author
author
author
author
dc.subject.none.fl_str_mv DAPAGLIFLOZIN
DETERMINATION
GHSA
HSA
INTERACTION
topic DAPAGLIFLOZIN
DETERMINATION
GHSA
HSA
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 paper, we have collected useful information about interactions of dapagliflozin (DPA) with normal human serum albumin (HSA) and glycated HSA (GHSA) by using spectroscopic and electrochemical methods. Instrumental data were analyzed by graphical and conventional methods and then, the data were mathematically modeled and simultaneously analyzed by multivariate curve resolution-alternating least squares (MCR-ALS). Hard-modeling algorithm of the data helped us to obtain qualitative and quantitative information to cast a deep look at the interactions of the DPA with HSA and GHSA. The results of MCR-BANDS showed that the MCR-ALS gave us unambiguous and reliable results. Afterwards, molecular docking techniques were used to investigate binding of the DPA with HSA and GHSA to obtain new information and to complete the previous findings. The DPA was bound with HSA and GHSA with different binding strengths. Fortunately, the results were compatible and confirmed each other. Finally, according to the results of interaction and binding of the DPA with HSA and GHSA, a second-order calibration model was developed with aim of exploiting second-order advantage for determination of the GHSA in the presence of HSA as uncalibrated interference. The developed method had a good performance for determination of the GHSA in both of synthetic and real samples.
Fil: Mohamady, Asma. Kermanshah University Of Medical Sciences; Irán
Fil: Shahlaei, Mohsen. Kermanshah University Of Medical Sciences; Irán
Fil: Akbari, Vali. 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: Jalalvand, Ali R.. Kermanshah University Of Medical Sciences; Irán
description In this paper, we have collected useful information about interactions of dapagliflozin (DPA) with normal human serum albumin (HSA) and glycated HSA (GHSA) by using spectroscopic and electrochemical methods. Instrumental data were analyzed by graphical and conventional methods and then, the data were mathematically modeled and simultaneously analyzed by multivariate curve resolution-alternating least squares (MCR-ALS). Hard-modeling algorithm of the data helped us to obtain qualitative and quantitative information to cast a deep look at the interactions of the DPA with HSA and GHSA. The results of MCR-BANDS showed that the MCR-ALS gave us unambiguous and reliable results. Afterwards, molecular docking techniques were used to investigate binding of the DPA with HSA and GHSA to obtain new information and to complete the previous findings. The DPA was bound with HSA and GHSA with different binding strengths. Fortunately, the results were compatible and confirmed each other. Finally, according to the results of interaction and binding of the DPA with HSA and GHSA, a second-order calibration model was developed with aim of exploiting second-order advantage for determination of the GHSA in the presence of HSA as uncalibrated interference. The developed method had a good performance for determination of the GHSA in both of synthetic and real samples.
publishDate 2021
dc.date.none.fl_str_mv 2021-08
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/11336/164790
Mohamady, Asma; Shahlaei, Mohsen; Akbari, Vali; Goicoechea, Hector Casimiro; Jalalvand, Ali R.; Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes; Elsevier Science; Microchemical Journal; 167; 8-2021; 1-35
0026-265X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/164790
identifier_str_mv Mohamady, Asma; Shahlaei, Mohsen; Akbari, Vali; Goicoechea, Hector Casimiro; Jalalvand, Ali R.; Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes; Elsevier Science; Microchemical Journal; 167; 8-2021; 1-35
0026-265X
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://linkinghub.elsevier.com/retrieve/pii/S0026265X21003970
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.microc.2021.106313
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
publisher.none.fl_str_mv Elsevier Science
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
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score 13.004268

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