RESUMO
A series of benzo [d] [1,3] azoles 2-substituted with benzyl- and allyl-sulfanyl groups were synthesized, and their cytotoxic activities were in vitro evaluated against a panel of six human cancer cell lines. The results showed that compounds BTA-1 and BMZ-2 have the best inhibitory effects, compound BMZ-2 being comparable in some cases with the reference drug tamoxifen and exhibiting a low cytotoxic effect against healthy cells. In silico molecular coupling studies at the tamoxifen binding site of ERα and GPER receptors revealed affinity and the possible mode of interaction of both compounds BTA-1 and BMZ-2.
Assuntos
Antineoplásicos/química , Antineoplásicos/metabolismo , Azóis/química , Azóis/metabolismo , Citotoxinas/química , Citotoxinas/metabolismo , Simulação de Acoplamento Molecular/métodos , Antineoplásicos/síntese química , Antineoplásicos/farmacologia , Azóis/síntese química , Azóis/farmacologia , Sítios de Ligação , Proliferação de Células/efeitos dos fármacos , Sobrevivência Celular/efeitos dos fármacos , Citotoxinas/síntese química , Citotoxinas/farmacologia , Ensaios de Seleção de Medicamentos Antitumorais , Receptor alfa de Estrogênio/metabolismo , Humanos , Células MCF-7 , Estrutura Molecular , Células PC-3 , Relação Estrutura-Atividade , Tamoxifeno/metabolismo , Tamoxifeno/farmacologiaRESUMO
The combination of two heteroaromatic boronic acids with pentaerythritol gave self-complementary tectons which were suitable for the generation of 2D and 3D molecular networks.