Rational Design Based Molecular Modeling for Novel Lumiracoxib Analogues: Enhancing The Affinity Toward Cyclooxygenase Type 2 Over Cyclooxygenase Type 1

Compounds, showing selectivity towards COX-2, are promising agents as selective non-steroidal anti-inflammatory drugs (NSAIDs) with lower side effects, especially, gastrointestinal ones. However, recent reports reveal the cardiovascular side effects associated with the selective COX-2 inhibitors. Therefore, attempts have been done to develop the second generation of selective COX-2 inheritors. They have safer profile compared to the first generation. Lumiracoxib belongs to this class of compounds. In this study, the molecular structure of the target enzymes were prepared. Library of rationally designed lumiracoxib analogues were docked.