Analysis of Interaction between Twenty-Seven Pyrimidinone Derivatives with XIAP Using a Theoretical Model

Abstract

For several years, several drugs have been used to treat different types of cancer; however, some of these drugs can cause side effects, such as high blood pressure, liver damage, and erectile dysfunction. In the search for new therapeutic alternatives, some compounds have been developed for the treatment of this clinical pathology; however, the interaction of these drugs with some biomolecules involved in the development of cancer is very unclear. Analyzing this data, this investigation aimed to evaluate the possible theoretical interaction of some pyrimidinone derivatives (compounds 1 to 27) on the X-linked inhibitor of apoptosis protein (XIAP) involved in cancer using the Docking model. The results showed that some pyrimidinone derivatives (1-6, 10, 11, 14, 15, 22-24, 26, and 27) could interact with the XIAP protein surface. In conclusion, these data suggest that some pyrimidinone derivatives can produce changes in the biological activity of XIAP. Therefore, these pyrimidinone derivatives could be good candidates to treat cancer.