Abstract
          Background There are several studies that indicate that cancer development
                    may be conditioned by the activation of some biological systems that involve the
                    interaction of different biomolecules, such as adenosine and vascular
                    endothelial growth factor. These biomolecules have been targeted of some drugs
                    for treat of cancer; however, there is little information on the interaction of
                    purine derivatives with adenosine and vascular endothelial growth factor
                    receptor (VEGF-R1).
          Objective The aim of this research was to determine the possible
                    interaction of purine (1) and their derivatives (2–31) with
                        A1, A2-adenosine receptors, and VEGF-R1.
          Methods Theoretical interaction of purine and their derivatives with
                        A1, A2-adenosine receptors and VEGF-R1 was carried out
                    using the 5uen, 5mzj and 3hng proteins as theoretical tools. Besides, adenosine,
                    cgs-15943, rolofylline, cvt-124, wrc-0571, luf-5834, cvt-6883, AZD-4635,
                    cabozantinib, pazopanib, regorafenib, and sorafenib drugs were used as
                    controls.
          Results The results showed differences in the number of aminoacid residues
                    involved in the interaction of purine and their derivatives with 5uen, 5mzj and
                    3hng proteins compared with the controls. Besides, the inhibition constants (Ki)
                    values for purine and their derivatives 5, 9, 10,
                    14, 15, 16, and 20 were lower compared with the
                    controls
          Conclusions Theoretical data suggest that purine and their derivatives
                        5, 9, 10, 14, 15, 16, and
                        20 could produce changes in cancer cell growth through inhibition of
                        A1, A2-adenosine receptors and VEGFR-1 inhibition.
                    These data indicate that these purine derivatives could be a therapeutic
                    alternative to treat some types of cancer.