Role of water in cyclooxygenase catalysis and design of anti-inflammatory agents targeting two sites of the enzyme

M Kaur, B Kaur, J Kaur, A Kaur, R Bhatti, P Singh - Scientific Reports, 2020 - nature.com
While designing the anti-inflammatory agents targeting cyclooxygenase-2 (COX-2), we first
identified a water loop around the heme playing critical role in the enzyme catalysis. The …