Pharmaceutical and Safety Profile Evaluation of Novel Selenocompounds with Noteworthy Anticancer Activity

Prior studies have reported the potent and selective cytotoxic, pro-apoptotic, and chemopreventive activities of a cyclic selenoanhydride and of a series of selenoesters. Some of these selenium derivatives demonstrated multidrug resistance (MDR)-reversing activity in different resistant cancer cell...

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Autores: Marć, Małgorzata Anna, Domínguez-Álvarez, Enrique, Latacz, Gniewomir, Doroz-Płonka, Agata, Sanmartín, Carmen, Spengler, Gabriella, Handzlik, Jadwiga
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2022
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/266106
Acceso en línea:http://hdl.handle.net/10261/266106
Access Level:acceso abierto
Palabra clave:Selenoesters
ADMET
Anticancer activity
Pharmaceutical profile
PAMPA
Metabolic stability
Ames test
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spelling Pharmaceutical and Safety Profile Evaluation of Novel Selenocompounds with Noteworthy Anticancer ActivityMarć, Małgorzata AnnaDomínguez-Álvarez, EnriqueLatacz, GniewomirDoroz-Płonka, AgataSanmartín, CarmenSpengler, GabriellaHandzlik, JadwigaSelenoestersADMETAnticancer activityPharmaceutical profilePAMPAMetabolic stabilityAmes testPrior studies have reported the potent and selective cytotoxic, pro-apoptotic, and chemopreventive activities of a cyclic selenoanhydride and of a series of selenoesters. Some of these selenium derivatives demonstrated multidrug resistance (MDR)-reversing activity in different resistant cancer cell lines. Thus, the aim of this study was to evaluate the pharmaceutical and safety profiles of these selected selenocompounds using alternative methods in silico and in vitro. One of the main tasks of this work was to determine both the physicochemical properties and metabolic stability of these selenoesters. The obtained results proved that these tested selenocompounds could become potential candidates for novel and safe anticancer drugs with good ADMET parameters. The most favorable selenocompounds turned out to be the phthalic selenoanhydride (<b>EDA-A6</b>), two ketone-containing selenoesters with a 4-chlorophenyl moiety (<b>EDA-71</b> and <b>EDA-73</b>), and a symmetrical selenodiester with a pyridine ring and two selenium atoms (<b>EDA-119</b>).This research was funded by statutory projects K/DSC/003824, N42/DBS/000196 (Jagiellonian University Medical College, Faculty of Pharmacy), Consejo Superior de Investigaciones Científicas (CSIC, Spain, project LINKA20285), Asociación Cultural Trevinca (Spain) and by COST Action CA17104 STRATAGEM, SZTE ÁOK-KKA 2018/270-62-2 of the University of Szeged, Faculty of Medicine and GINOP-2.3.2-15-2016-00038 (Hungary).Peer reviewedMultidisciplinary Digital Publishing InstituteJagiellonian University in KrakówConsejo Superior de Investigaciones Científicas (España)Asociación Cultural TrevincaUniversity of SzegedConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]2022202220222022info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://hdl.handle.net/10261/266106reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttps://doi.org/10.3390/pharmaceutics14020367Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2661062026-05-22T06:33:51Z
dc.title.none.fl_str_mv Pharmaceutical and Safety Profile Evaluation of Novel Selenocompounds with Noteworthy Anticancer Activity
title Pharmaceutical and Safety Profile Evaluation of Novel Selenocompounds with Noteworthy Anticancer Activity
spellingShingle Pharmaceutical and Safety Profile Evaluation of Novel Selenocompounds with Noteworthy Anticancer Activity
Marć, Małgorzata Anna
Selenoesters
ADMET
Anticancer activity
Pharmaceutical profile
PAMPA
Metabolic stability
Ames test
title_short Pharmaceutical and Safety Profile Evaluation of Novel Selenocompounds with Noteworthy Anticancer Activity
title_full Pharmaceutical and Safety Profile Evaluation of Novel Selenocompounds with Noteworthy Anticancer Activity
title_fullStr Pharmaceutical and Safety Profile Evaluation of Novel Selenocompounds with Noteworthy Anticancer Activity
title_full_unstemmed Pharmaceutical and Safety Profile Evaluation of Novel Selenocompounds with Noteworthy Anticancer Activity
title_sort Pharmaceutical and Safety Profile Evaluation of Novel Selenocompounds with Noteworthy Anticancer Activity
dc.creator.none.fl_str_mv Marć, Małgorzata Anna
Domínguez-Álvarez, Enrique
Latacz, Gniewomir
Doroz-Płonka, Agata
Sanmartín, Carmen
Spengler, Gabriella
Handzlik, Jadwiga
author Marć, Małgorzata Anna
author_facet Marć, Małgorzata Anna
Domínguez-Álvarez, Enrique
Latacz, Gniewomir
Doroz-Płonka, Agata
Sanmartín, Carmen
Spengler, Gabriella
Handzlik, Jadwiga
author_role author
author2 Domínguez-Álvarez, Enrique
Latacz, Gniewomir
Doroz-Płonka, Agata
Sanmartín, Carmen
Spengler, Gabriella
Handzlik, Jadwiga
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv Jagiellonian University in Kraków
Consejo Superior de Investigaciones Científicas (España)
Asociación Cultural Trevinca
University of Szeged
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Selenoesters
ADMET
Anticancer activity
Pharmaceutical profile
PAMPA
Metabolic stability
Ames test
topic Selenoesters
ADMET
Anticancer activity
Pharmaceutical profile
PAMPA
Metabolic stability
Ames test
description Prior studies have reported the potent and selective cytotoxic, pro-apoptotic, and chemopreventive activities of a cyclic selenoanhydride and of a series of selenoesters. Some of these selenium derivatives demonstrated multidrug resistance (MDR)-reversing activity in different resistant cancer cell lines. Thus, the aim of this study was to evaluate the pharmaceutical and safety profiles of these selected selenocompounds using alternative methods in silico and in vitro. One of the main tasks of this work was to determine both the physicochemical properties and metabolic stability of these selenoesters. The obtained results proved that these tested selenocompounds could become potential candidates for novel and safe anticancer drugs with good ADMET parameters. The most favorable selenocompounds turned out to be the phthalic selenoanhydride (<b>EDA-A6</b>), two ketone-containing selenoesters with a 4-chlorophenyl moiety (<b>EDA-71</b> and <b>EDA-73</b>), and a symmetrical selenodiester with a pyridine ring and two selenium atoms (<b>EDA-119</b>).
publishDate 2022
dc.date.none.fl_str_mv 2022
2022
2022
2022
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/266106
url http://hdl.handle.net/10261/266106
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://doi.org/10.3390/pharmaceutics14020367
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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