Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 Activation

Novel multitarget-directed ligands BIGI 4a-d and BIGI 5a-d were designed and synthesized with a simple and cost-efficient procedure via a one-pot three-component Biginelli reaction targeting acetyl-/butyrylcholinesterases inhibition, calcium channel antagonism, and antioxidant ability. Among these m...

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Autores: Malek, R., Simakov, Alexey, Davis, A., Maj, Maciej, Bernard, P. J., Wnorowski, Artur, Martin, Helene, Marco-Contelles, José, Chabchoub, Fakher, Dallemagne, Patrick, Rochais, C., Józwiak, K., Ismaili, Lhassane
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2023
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/309005
Acceso en línea:http://hdl.handle.net/10261/309005
Access Level:acceso abierto
Palabra clave:Biginelli reaction
multitarget-directed ligands
calcium channel antagonism
Nrf2
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spelling Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 ActivationMalek, R.Simakov, AlexeyDavis, A.Maj, MaciejBernard, P. J.Wnorowski, ArturMartin, HeleneMarco-Contelles, JoséChabchoub, FakherDallemagne, PatrickRochais, C.Józwiak, K.Ismaili, LhassaneBiginelli reactionmultitarget-directed ligandscalcium channel antagonismNrf2Novel multitarget-directed ligands BIGI 4a-d and BIGI 5a-d were designed and synthesized with a simple and cost-efficient procedure via a one-pot three-component Biginelli reaction targeting acetyl-/butyrylcholinesterases inhibition, calcium channel antagonism, and antioxidant ability. Among these multitarget-directed ligands, BIGI 4b, BIGI 4d, and BIGI 5b were identified as promising new hit compounds showing in vitro balanced activities toward the recognized AD targets. In addition, these compounds showed suitable physicochemical properties and a good druglikeness score predicted by Data Warrior software.This work was supported by the Regional Council of Franche-Comté (2022Y-13659 and 13660 ACCURATE PROJECT) and CERMN (Centre d’Etudes et de Recherche sur le Médicament de Normandie)Molecular Diversity Preservation InternationalConseil régional of Franche-ComtéCentre d'Études et de Recherche sur le Médicament de NormandieConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]2023202320232023info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/309005reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://dx.doi.org/10.3390/molecules28010071Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3090052026-05-22T06:33:51Z
dc.title.none.fl_str_mv Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 Activation
title Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 Activation
spellingShingle Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 Activation
Malek, R.
Biginelli reaction
multitarget-directed ligands
calcium channel antagonism
Nrf2
title_short Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 Activation
title_full Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 Activation
title_fullStr Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 Activation
title_full_unstemmed Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 Activation
title_sort Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 Activation
dc.creator.none.fl_str_mv Malek, R.
Simakov, Alexey
Davis, A.
Maj, Maciej
Bernard, P. J.
Wnorowski, Artur
Martin, Helene
Marco-Contelles, José
Chabchoub, Fakher
Dallemagne, Patrick
Rochais, C.
Józwiak, K.
Ismaili, Lhassane
author Malek, R.
author_facet Malek, R.
Simakov, Alexey
Davis, A.
Maj, Maciej
Bernard, P. J.
Wnorowski, Artur
Martin, Helene
Marco-Contelles, José
Chabchoub, Fakher
Dallemagne, Patrick
Rochais, C.
Józwiak, K.
Ismaili, Lhassane
author_role author
author2 Simakov, Alexey
Davis, A.
Maj, Maciej
Bernard, P. J.
Wnorowski, Artur
Martin, Helene
Marco-Contelles, José
Chabchoub, Fakher
Dallemagne, Patrick
Rochais, C.
Józwiak, K.
Ismaili, Lhassane
author2_role author
author
author
author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Conseil régional of Franche-Comté
Centre d'Études et de Recherche sur le Médicament de Normandie
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Biginelli reaction
multitarget-directed ligands
calcium channel antagonism
Nrf2
topic Biginelli reaction
multitarget-directed ligands
calcium channel antagonism
Nrf2
description Novel multitarget-directed ligands BIGI 4a-d and BIGI 5a-d were designed and synthesized with a simple and cost-efficient procedure via a one-pot three-component Biginelli reaction targeting acetyl-/butyrylcholinesterases inhibition, calcium channel antagonism, and antioxidant ability. Among these multitarget-directed ligands, BIGI 4b, BIGI 4d, and BIGI 5b were identified as promising new hit compounds showing in vitro balanced activities toward the recognized AD targets. In addition, these compounds showed suitable physicochemical properties and a good druglikeness score predicted by Data Warrior software.
publishDate 2023
dc.date.none.fl_str_mv 2023
2023
2023
2023
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/10261/309005
url http://hdl.handle.net/10261/309005
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.3390/molecules28010071
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Molecular Diversity Preservation International
publisher.none.fl_str_mv Molecular Diversity Preservation International
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
_version_ 1869424091992162304
score 15.812429

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