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

  • Heitor A. Oliveira
  • Wagner L.C. Almeida
  • Stefânia N. Lavorato


The inhibitory activity of six coumarins against glutathione-S-transferase was investigated using molecular docking. The results indicated a great potential of these compounds to inhibit this enzyme considering interaction pattern and binding energies. Suitable pharmacokinetics properties and high drug-likeness score were in silico predicted for coumarins, although mutagenic potential was also predicted. Promising results reinforce that studies should be continued.