In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compounds

Detalhes bibliográficos
Autor(a) principal: DA SILVA, Beatriz R.M.G.
Data de Publicação: 2023
Outros Autores: DA SILVA BEZERRA JÚNIOR, Natanael, DE OLIVEIRA, Jamerson F., Duarte, Denise Maria F.A., Marques, Diego S.C., Nogueira, Fátima, DE LIMA, Maria Carmo A., DA CRUZ FILHO, Iranildo José
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10362/164554
Resumo: Funding Information: This study was funded by the Brazilian agencies Fundação de Amparo à Pesquisa do Estado de Pernambuco-FACEPE (Process APQ-0498-4.03/19) and researcher fixation grant-FACEPE (Process BFP-0038-04.03/21). Thanks to MR4, who provided us with the P. falciparum MRA-1029 strain provided by Andrew Talman, Robert Sinden that we used in the trials. The work was partially supported by the FCT project reference CIRCNA/BRB/0281/2019_AMAZING and GHTM-UID/Multi/04413/2013. Funding Information: This study was funded by the Brazilian agencies Fundação de Amparo à Pesquisa do Estado de Pernambuco - FACEPE (Process APQ-0498-4.03/19) and researcher fixation grant -FACEPE (Process BFP -0038-04.03/21). Thanks to MR4, who provided us with the P. falciparum MRA-1029 strain provided by Andrew Talman, Robert Sinden that we used in the trials. The work was partially supported by the FCT project reference CIRCNA/BRB/0281/2019_AMAZING and GHTM-UID/Multi/04413/2013. Publisher Copyright: © 2023, Academia Brasileira de Ciencias. All rights reserved.
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spelling In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compoundsADMETantimalarial activitymammalian cell cytotoxicitythiazolesRM Therapeutics. PharmacologyQR MicrobiologyInfectious DiseasesParasitologyDrug DiscoveryPharmacology, Toxicology and Pharmaceutics(all)SDG 3 - Good Health and Well-beingSDG 9 - Industry, Innovation, and InfrastructureFunding Information: This study was funded by the Brazilian agencies Fundação de Amparo à Pesquisa do Estado de Pernambuco-FACEPE (Process APQ-0498-4.03/19) and researcher fixation grant-FACEPE (Process BFP-0038-04.03/21). Thanks to MR4, who provided us with the P. falciparum MRA-1029 strain provided by Andrew Talman, Robert Sinden that we used in the trials. The work was partially supported by the FCT project reference CIRCNA/BRB/0281/2019_AMAZING and GHTM-UID/Multi/04413/2013. Funding Information: This study was funded by the Brazilian agencies Fundação de Amparo à Pesquisa do Estado de Pernambuco - FACEPE (Process APQ-0498-4.03/19) and researcher fixation grant -FACEPE (Process BFP -0038-04.03/21). Thanks to MR4, who provided us with the P. falciparum MRA-1029 strain provided by Andrew Talman, Robert Sinden that we used in the trials. The work was partially supported by the FCT project reference CIRCNA/BRB/0281/2019_AMAZING and GHTM-UID/Multi/04413/2013. Publisher Copyright: © 2023, Academia Brasileira de Ciencias. All rights reserved.In this work, an in silico study and evaluation of the cytotoxicity of 4-(4-chlorophenyl)thiazole compounds against mouse splenocytes and the chloroquinesensitive Plasmodium falciparum 3D7 strain are reported. The in silico results showed that the compounds have important pharmacokinetic properties for compounds with potential drug candidates. Regarding cytotoxicity assays against splenocytes, the compounds have low cytotoxicity. In addition, they were able to promote activation of these cells by increasing nitric oxide production without promoting cell death. Finally, they were able to promote cell proliferation. Regarding the in vitro anti-P. falciparum activity assays, it was observed that the compounds were able to inhibit the parasite’s growth, presenting IC50 values ranging from 0.79 to greater than 10 µM. These results are promising when compared to chloroquine. Therefore, this study showed that 4-(4-chlorophenyl)thiazole compounds are promising candidates for antimalarials.Global Health and Tropical Medicine (GHTM)Instituto de Higiene e Medicina Tropical (IHMT)Vector borne diseases and pathogens (VBD)RUNDA SILVA, Beatriz R.M.G.DA SILVA BEZERRA JÚNIOR, NatanaelDE OLIVEIRA, Jamerson F.Duarte, Denise Maria F.A.Marques, Diego S.C.Nogueira, FátimaDE LIMA, Maria Carmo A.DA CRUZ FILHO, Iranildo José2024-03-06T23:38:28Z20232023-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10362/164554eng0001-3765PURE: 83793795https://doi.org/10.1590/0001-3765202320230566info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-05-22T18:19:11Zoai:run.unl.pt:10362/164554Portal AgregadorONGhttps://www.rcaap.pt/oai/openairemluisa.alvim@gmail.comopendoar:71602024-05-22T18:19:11Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compounds
title In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compounds
spellingShingle In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compounds
DA SILVA, Beatriz R.M.G.
ADMET
antimalarial activity
mammalian cell cytotoxicity
thiazoles
RM Therapeutics. Pharmacology
QR Microbiology
Infectious Diseases
Parasitology
Drug Discovery
Pharmacology, Toxicology and Pharmaceutics(all)
SDG 3 - Good Health and Well-being
SDG 9 - Industry, Innovation, and Infrastructure
title_short In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compounds
title_full In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compounds
title_fullStr In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compounds
title_full_unstemmed In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compounds
title_sort In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compounds
author DA SILVA, Beatriz R.M.G.
author_facet DA SILVA, Beatriz R.M.G.
DA SILVA BEZERRA JÚNIOR, Natanael
DE OLIVEIRA, Jamerson F.
Duarte, Denise Maria F.A.
Marques, Diego S.C.
Nogueira, Fátima
DE LIMA, Maria Carmo A.
DA CRUZ FILHO, Iranildo José
author_role author
author2 DA SILVA BEZERRA JÚNIOR, Natanael
DE OLIVEIRA, Jamerson F.
Duarte, Denise Maria F.A.
Marques, Diego S.C.
Nogueira, Fátima
DE LIMA, Maria Carmo A.
DA CRUZ FILHO, Iranildo José
author2_role author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Global Health and Tropical Medicine (GHTM)
Instituto de Higiene e Medicina Tropical (IHMT)
Vector borne diseases and pathogens (VBD)
RUN
dc.contributor.author.fl_str_mv DA SILVA, Beatriz R.M.G.
DA SILVA BEZERRA JÚNIOR, Natanael
DE OLIVEIRA, Jamerson F.
Duarte, Denise Maria F.A.
Marques, Diego S.C.
Nogueira, Fátima
DE LIMA, Maria Carmo A.
DA CRUZ FILHO, Iranildo José
dc.subject.por.fl_str_mv ADMET
antimalarial activity
mammalian cell cytotoxicity
thiazoles
RM Therapeutics. Pharmacology
QR Microbiology
Infectious Diseases
Parasitology
Drug Discovery
Pharmacology, Toxicology and Pharmaceutics(all)
SDG 3 - Good Health and Well-being
SDG 9 - Industry, Innovation, and Infrastructure
topic ADMET
antimalarial activity
mammalian cell cytotoxicity
thiazoles
RM Therapeutics. Pharmacology
QR Microbiology
Infectious Diseases
Parasitology
Drug Discovery
Pharmacology, Toxicology and Pharmaceutics(all)
SDG 3 - Good Health and Well-being
SDG 9 - Industry, Innovation, and Infrastructure
description Funding Information: This study was funded by the Brazilian agencies Fundação de Amparo à Pesquisa do Estado de Pernambuco-FACEPE (Process APQ-0498-4.03/19) and researcher fixation grant-FACEPE (Process BFP-0038-04.03/21). Thanks to MR4, who provided us with the P. falciparum MRA-1029 strain provided by Andrew Talman, Robert Sinden that we used in the trials. The work was partially supported by the FCT project reference CIRCNA/BRB/0281/2019_AMAZING and GHTM-UID/Multi/04413/2013. Funding Information: This study was funded by the Brazilian agencies Fundação de Amparo à Pesquisa do Estado de Pernambuco - FACEPE (Process APQ-0498-4.03/19) and researcher fixation grant -FACEPE (Process BFP -0038-04.03/21). Thanks to MR4, who provided us with the P. falciparum MRA-1029 strain provided by Andrew Talman, Robert Sinden that we used in the trials. The work was partially supported by the FCT project reference CIRCNA/BRB/0281/2019_AMAZING and GHTM-UID/Multi/04413/2013. Publisher Copyright: © 2023, Academia Brasileira de Ciencias. All rights reserved.
publishDate 2023
dc.date.none.fl_str_mv 2023
2023-01-01T00:00:00Z
2024-03-06T23:38:28Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10362/164554
url http://hdl.handle.net/10362/164554
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 0001-3765
PURE: 83793795
https://doi.org/10.1590/0001-3765202320230566
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv mluisa.alvim@gmail.com
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