Anticancer Activity of in Silico Interaction Between Curcumin and Cyclooxygenase 2 Enzyme

In this research, the in silico interaction between curcumin and cyclooxygenase 2 (COX-2) was investigated using molecular docking with the AutoDock 4.0 software application. This study aimed to determine the pharmacokinetic profile of the compound, affinity, and exchange of curcumin with COX-2 inhibitors in silico. Curcumin’s interactions with COX-2 were compared to those of the known COX-inhibitor, celecoxib. The pharmacodynamic test was used to show the free bond energy. Curcumin demonstrated anticancer activity by inhibiting the metabolism of arachidonic acid through the enzyme COX-2 and inhibiting free radicals in the enzymatic pathway. This was indicated by the value free energy (ΔG) of the curcumin compounds having a binding energy value of -8.81 kcal/mol, which is smaller than that of arachidonic acid (-5.20 kcal/mol). However, celecoxib had a more stable bond with the COX-2 inhibitors than curcumin, with a value of -10.11 kcal/mol. As a result, curcumin can be considered a suitable lead compound in developing new COX-2 inhibitors, which are a potential target for anticancer drugs.