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 - Silva, Beatriz R.M.G.DA
AU - Bezerra Júnior, Natanael DA Silva
AU - Oliveira, Jamerson F.DE
AU - Duarte, Denise Maria F. A.
AU - Marques, Diego S.C.
AU - Nogueira, Fátima
AU - Lima, Maria Carmo A.DE
AU - Cruz Filho, Iranildo José DA
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 chloroquine-sensitive 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 chloroquine-sensitive 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 - thiazoles
KW - ADMET
KW - mammalian cell cytotoxicity
KW - Antimalarial activity
UR - http://www.scopus.com/inward/record.url?scp=85179025476&partnerID=8YFLogxK
U2 - 10.1590/0001-3765202320230566
DO - 10.1590/0001-3765202320230566
M3 - Article
C2 - 38055446
AN - SCOPUS:85179025476
SN - 1678-2690
VL - 95
SP - e20230566
JO - Anais da Academia Brasileira de Ciencias
JF - Anais da Academia Brasileira de Ciencias
ER -
