Synthesis of an Adamantyl Derivative and their Theoretical Interaction with both COX-1 and COX-2 Enzymes

Abstract

Various drugs have been used to treat pain; nevertheless, several drugs can produce side effects such as bronchospasm, thinning, and angioedema. In the search for new therapeutic alternatives, some drugs have been elaborated using different reagents that are difficult to handle and require special conditions such as different pH and higher temperatures. Therefore, this research aimed to prepare an adamantyl derivative (compound 4) from 1-Adamantyl bromomethyl ketone using some chemical strategies. Besides, a theoretical evaluation of the interaction of compound 4 with both cyclooxygenase enzymes (COX-1 and COX-2) was evaluated using either 4cox or 5jw1 proteins as theoretical models. In addition, both indomethacin and celecoxib drugs were used as controls in a docking model. The results showed that compound 4 has a higher affinity by both 4cox and 5jw1 proteins surface compared with either indomethacin or celecoxib drugs. In conclusion, these data suggest that 4 could be a good candidate for pain treatment.