method of identifying human ecto-5`-nucleotidase inhibitor compounds (cd73) and use of the identified compounds

摘要

The present invention describes a method of identifying compounds having a molecular mass of less than 500 g.mol-1 and potential antitumor activity, more specifically the selection of human ecto-5'-nucleotidase (cd73) inhibitors. said method comprises the steps of a) virtual sorting; b) visual inspection filter; and c) enzyme inhibition analysis; and substeps a.1) pharmacophoric filter in the open or closed conformation of the enzyme; a.2) filter of physicochemical properties; and a.3) anchor filter. Additionally, the present invention relates to the use of the compounds identified by the proposed method for preparing a pharmaceutical composition for treating neoplasms.