Avaliação da cumarina e seus derivados substituídos como potenciais inibidores da enzima GST-π e determinação de seus perfis farmacocinéticos via estudos in silico

Resumo

The inhibitory activity of coumarin and derivatives against glutathione-S-transferase was evaluated using molecular docking. Docking results indicated a great potential of these compounds to inhibit this enzyme, especially compound 2. The ADMET profile were also in silico predicted for coumarins. In general, they show positive results, however mutagenic and carcinogenic potential was observed.