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Future Med Chem ; 13(3): 233-250, 2021 02.
Artigo em Inglês | MEDLINE | ID: mdl-33295837

RESUMO

Malaria is still a life-threatening public health issue, and the upsurge of resistant strains requires continuous generation of active molecules. In this work, 35 sulfonylhydrazone derivatives were synthesized and evaluated against Plasmodium falciparum chloroquine-sensitive (3D7) and resistant (W2) strains. The most promising compound, 5b, had an IC50 of 0.22 µM against W2 and was less cytotoxic and 26-fold more selective than chloroquine. The structure-activity relationship model, statistical analysis and molecular modeling studies suggested that antiplasmodial activity was related to hydrogen bond acceptor count, molecular weight and partition coefficient of octanol/water and displacement of frontier orbitals to the heteroaromatic ring beside the imine bond. This study demonstrates that the synthesized molecules with a simple scaffold allow the hit-to-lead process for new antimalarials to commence.


Assuntos
Antimaláricos/farmacologia , Hidrazonas/química , Plasmodium falciparum/efeitos dos fármacos , Antimaláricos/química , Linhagem Celular , Sobrevivência Celular/efeitos dos fármacos , Cloroquina/farmacologia , Cloroquina/uso terapêutico , Resistência a Medicamentos/efeitos dos fármacos , Humanos , Hidrazonas/farmacologia , Estágios do Ciclo de Vida/efeitos dos fármacos , Aprendizado de Máquina , Malária/tratamento farmacológico , Testes de Sensibilidade Parasitária , Plasmodium falciparum/crescimento & desenvolvimento , Teoria Quântica , Relação Estrutura-Atividade
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