Modelos de QSAR-4D de alcaloides acridônicos frente à enzima catepsina V

Resumo

Cancer is one of the diseases responsible for the death of a large numbers of people in the world annually. One of the possible causes of this disease is the deregulation of enzymatic catalytic activity. Cathepsin V is mainly expressed in the thymus, testis and epithelial cornea is one of the main therapeutic targets in the treatment of thymus cancer, since its high concentration is related to the progression of tumors in these tissues. A theoretical study of inhibition of this enzyme through QSAR was performed, obtaining satisfactory values of Q² = 0.666 ± 0.019, R² = 0.721 ± 0.012 and p²pred = 0.679 ± 0.026.