TY - JOUR
T1 - In silico ADMET prediction, evaluation of cytotoxicity in mouse splenocytes and preliminary evaluation of in vitro antimalarial activity of 4-(4-chlorophenyl) thiazole compounds
AU - DA SILVA, Beatriz R.M.G.
AU - DA SILVA BEZERRA JÚNIOR, Natanael
AU - DE OLIVEIRA, Jamerson F.
AU - Duarte, Denise Maria F. A.
AU - Marques, Diego S.C.
AU - Nogueira, Fátima
AU - DE LIMA, Maria Carmo A.
AU - DA CRUZ FILHO, Iranildo José
N1 - 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.
PY - 2023
Y1 - 2023
N2 - 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.
AB - 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.
KW - ADMET
KW - antimalarial activity
KW - mammalian cell cytotoxicity
KW - thiazoles
UR - http://www.scopus.com/inward/record.url?scp=85179918441&partnerID=8YFLogxK
U2 - 10.1590/0001-3765202320230566
DO - 10.1590/0001-3765202320230566
M3 - Article
AN - SCOPUS:85179918441
SN - 0001-3765
VL - 95
JO - Anais da Academia Brasileira de Ciencias
JF - Anais da Academia Brasileira de Ciencias
M1 - e20230566
ER -
