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.