Molecular docking and binding studies of bioactive compounds from elite coastal flora on their interaction with cyclooxygenase-2 and 5-lipooxygenase protein: a search for novel anti inflammatory drug

Abstract

Cyclooxygenase-2(COX-2) and 5-lipooxygenase (5-LOX) enzymes involved in the arachidonic acid pathway has become an important target for the pharmacological intervention of chronic inflammation. Naturally occurring bioactive compounds are gaining importance as potential drug candidates for a number of pathological conditions including chronic inflammatory diseases. Computer based predictions have become more reliable, the synergic effects of the drug molecules in the crude can be identified faster using in silico tools.  Four bioactive compounds derived from coastal flora were taken for the present study and docked with target proteins. The results inferred that the all four molecules are promising hits as inflammatory inhibitors of natural origin. Notably betulinic acid was identified as potential dual inhibitor of COX-2/5-LOX. Therefore, further studies can be carried out on these natural compounds to identify lead molecule against chronic inflammation.