Synthesis and theoretical analysis of interaction from an adamantane-steroid derivative with both COX-1 and COX-2

Several inhibitors of cyclooxygenases (COX-1 and COX-2) have been prepared using different protocols; however, these methods use some reagents that require special conditions. The objective of this study was synthesize a new adamantane-steroid derivative to evaluate their theoretical activity against both COX-1 and COX-2 enzymes using either indomethacin and rofecoxib as controls in a docking method. Theorethical data showed that the adamantane-steroid derivative could have a higher affinity for COX-1; this interaction could produce changes on biological activity of COX-1 enzyme. In onclusion, the theoretical evaluation indicates that this steroid-derivative could be a good prospect as an inhibitor of COX-1.