Celecoxib is the most effective nonsteroidal anti-inflammatory drug (NSAID) used as selective targeted cyclooxygenase-2 (COX-2) inhibitor. Although it remarkable used to treat pain and inflammation in rheumatoid arthritis, painful menstruation, acute pain in adults and osteoarthritis, but serious side effects of celecoxib includes gastrointestinal bleeding, kidney failure, heart attacks, nausea, abdominal pain, and diarrhea. In this work, a total of 18 celecoxib analogues were docked inside cyclooxygenase-2 (COX-2) enzyme crystal structure to calculate the binding potency of each analogue inside active site. Molecular modeling and In silico prediction of ADMET properties approaches were applied and the twenty most effective celecoxib analogues were selected with docking binding range (-14.91 to -13.24) kcal/mol.

Keywords: Drug design, new celecoxib derivatives, inhibitors