Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents

Autores
Karypidou, Konstantina; Ribone, Sergio Roman; Quevedo, Mario Alfredo; Persoons, Leentje; Pannecouque, Christophe; Helsen, Christine; Claessens, Frank; Dehaen, Wim
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Synthesis and biological evaluation of a novel library of fused 1,2,3-triazole derivatives are described. The in-house developed multicomponent reaction based on commercially available starting materials was applied and broad biological screening against various viruses was performed, showing promising antiviral properties for compounds 14d, 14n, 14q, 18f and 18i against human coronavirus 229E. Further in silico studies identified the key molecular interactions between those compounds and the 3-chymotrypsin-like protease, which is essential to the intracellular replication of the virus, supporting the hypothesis that the protease is the target molecule of the potential antiviral derivatives.
Fil: Karypidou, Konstantina. Katholikie Universiteit Leuven; Bélgica
Fil: Ribone, Sergio Roman. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica; Argentina
Fil: Quevedo, Mario Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica; Argentina
Fil: Persoons, Leentje. Katholikie Universiteit Leuven; Bélgica
Fil: Pannecouque, Christophe. Katholikie Universiteit Leuven; Bélgica
Fil: Helsen, Christine. Katholikie Universiteit Leuven; Bélgica
Fil: Claessens, Frank. Katholikie Universiteit Leuven; Bélgica
Fil: Dehaen, Wim. Katholikie Universiteit Leuven; Bélgica
Materia
1,2,3-TRIAZOLE
3CL PROTEASE
BIOLOGICAL EVALUATION
CORONAVIRUS
RESPIRATORY SYNDROME
covid-19
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/92549
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/92549
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agentsKarypidou, KonstantinaRibone, Sergio RomanQuevedo, Mario AlfredoPersoons, LeentjePannecouque, ChristopheHelsen, ChristineClaessens, FrankDehaen, Wim1,2,3-TRIAZOLE3CL PROTEASEBIOLOGICAL EVALUATIONCORONAVIRUSRESPIRATORY SYNDROMEcovid-19https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Synthesis and biological evaluation of a novel library of fused 1,2,3-triazole derivatives are described. The in-house developed multicomponent reaction based on commercially available starting materials was applied and broad biological screening against various viruses was performed, showing promising antiviral properties for compounds 14d, 14n, 14q, 18f and 18i against human coronavirus 229E. Further in silico studies identified the key molecular interactions between those compounds and the 3-chymotrypsin-like protease, which is essential to the intracellular replication of the virus, supporting the hypothesis that the protease is the target molecule of the potential antiviral derivatives.Fil: Karypidou, Konstantina. Katholikie Universiteit Leuven; BélgicaFil: Ribone, Sergio Roman. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica; ArgentinaFil: Quevedo, Mario Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica; ArgentinaFil: Persoons, Leentje. Katholikie Universiteit Leuven; BélgicaFil: Pannecouque, Christophe. Katholikie Universiteit Leuven; BélgicaFil: Helsen, Christine. Katholikie Universiteit Leuven; BélgicaFil: Claessens, Frank. Katholikie Universiteit Leuven; BélgicaFil: Dehaen, Wim. Katholikie Universiteit Leuven; BélgicaElsevier2018-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/92549Karypidou, Konstantina; Ribone, Sergio Roman; Quevedo, Mario Alfredo; Persoons, Leentje; Pannecouque, Christophe; et al.; Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents; Elsevier; Biorganic and Medicinal Chemistry Letters; 28; 21; 11-2018; 3472-34760960-894XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0960894X18307509info:eu-repo/semantics/altIdentifier/doi/10.1016/j.bmcl.2018.09.019info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0960894X18307509info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:47:30Zoai:ri.conicet.gov.ar:11336/92549instacron: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 09:47:30.711CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents
title Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents
spellingShingle Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents
Karypidou, Konstantina
1,2,3-TRIAZOLE
3CL PROTEASE
BIOLOGICAL EVALUATION
CORONAVIRUS
RESPIRATORY SYNDROME
covid-19
title_short Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents
title_full Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents
title_fullStr Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents
title_full_unstemmed Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents
title_sort Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents
dc.creator.none.fl_str_mv Karypidou, Konstantina
Ribone, Sergio Roman
Quevedo, Mario Alfredo
Persoons, Leentje
Pannecouque, Christophe
Helsen, Christine
Claessens, Frank
Dehaen, Wim
author Karypidou, Konstantina
author_facet Karypidou, Konstantina
Ribone, Sergio Roman
Quevedo, Mario Alfredo
Persoons, Leentje
Pannecouque, Christophe
Helsen, Christine
Claessens, Frank
Dehaen, Wim
author_role author
author2 Ribone, Sergio Roman
Quevedo, Mario Alfredo
Persoons, Leentje
Pannecouque, Christophe
Helsen, Christine
Claessens, Frank
Dehaen, Wim
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv 1,2,3-TRIAZOLE
3CL PROTEASE
BIOLOGICAL EVALUATION
CORONAVIRUS
RESPIRATORY SYNDROME
covid-19
topic 1,2,3-TRIAZOLE
3CL PROTEASE
BIOLOGICAL EVALUATION
CORONAVIRUS
RESPIRATORY SYNDROME
covid-19
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Synthesis and biological evaluation of a novel library of fused 1,2,3-triazole derivatives are described. The in-house developed multicomponent reaction based on commercially available starting materials was applied and broad biological screening against various viruses was performed, showing promising antiviral properties for compounds 14d, 14n, 14q, 18f and 18i against human coronavirus 229E. Further in silico studies identified the key molecular interactions between those compounds and the 3-chymotrypsin-like protease, which is essential to the intracellular replication of the virus, supporting the hypothesis that the protease is the target molecule of the potential antiviral derivatives.
Fil: Karypidou, Konstantina. Katholikie Universiteit Leuven; Bélgica
Fil: Ribone, Sergio Roman. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica; Argentina
Fil: Quevedo, Mario Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica; Argentina
Fil: Persoons, Leentje. Katholikie Universiteit Leuven; Bélgica
Fil: Pannecouque, Christophe. Katholikie Universiteit Leuven; Bélgica
Fil: Helsen, Christine. Katholikie Universiteit Leuven; Bélgica
Fil: Claessens, Frank. Katholikie Universiteit Leuven; Bélgica
Fil: Dehaen, Wim. Katholikie Universiteit Leuven; Bélgica
description Synthesis and biological evaluation of a novel library of fused 1,2,3-triazole derivatives are described. The in-house developed multicomponent reaction based on commercially available starting materials was applied and broad biological screening against various viruses was performed, showing promising antiviral properties for compounds 14d, 14n, 14q, 18f and 18i against human coronavirus 229E. Further in silico studies identified the key molecular interactions between those compounds and the 3-chymotrypsin-like protease, which is essential to the intracellular replication of the virus, supporting the hypothesis that the protease is the target molecule of the potential antiviral derivatives.
publishDate 2018
dc.date.none.fl_str_mv 2018-11
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/11336/92549
Karypidou, Konstantina; Ribone, Sergio Roman; Quevedo, Mario Alfredo; Persoons, Leentje; Pannecouque, Christophe; et al.; Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents; Elsevier; Biorganic and Medicinal Chemistry Letters; 28; 21; 11-2018; 3472-3476
0960-894X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/92549
identifier_str_mv Karypidou, Konstantina; Ribone, Sergio Roman; Quevedo, Mario Alfredo; Persoons, Leentje; Pannecouque, Christophe; et al.; Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents; Elsevier; Biorganic and Medicinal Chemistry Letters; 28; 21; 11-2018; 3472-3476
0960-894X
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/S0960894X18307509
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.bmcl.2018.09.019
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0960894X18307509
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/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_ 1844613480089387008
score 13.070432

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