Inflammation is an important process in the human body which is broadly mediated by two main enzymes; cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX). The heterocyclic compounds are the most emerging class of anti-inflammatory agents. The present investigation aimed at exploring of anti-inflammatory perspective through molecular docking study on cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) of (5aR)-8-ethyl-6-vinyl-3,3a,5a,6-tetrahydroazuleno[1,8-cd]pyran-1,4(5H,9H)-dione, a fused pyran based compound having an aromatic part and a five-member component, utilizing Glide module of Maestro 9.1 software. A brilliant binding of the ligand with the macromolecule was observed by the IFD binding scores. The molecule exhibited interaction with COX-2 via formation of stable hydrogen bonding through Tyr324 with the = O (carbonyl) moiety present in the five-membered portion, demonstrating Glide score of -8.86 kcal/mol. In contrast, the molecule displayed interaction with the 5-LOX via formation of stable hydrogen bonding through Gln514 with =O (carbonyl) moiety present in the pyran part, demonstrating Glide score of -8.22 kcal/mol. From the examined data, a conclusive fact can be articulated about its future perspectives in clinical utility as a promising candidate for the treatment of ailments of multiple origins. The study will definitely inspire medicinal chemists in developing new generations of anti-inflammatory pyrans.
Loading....