Cancer is the second leading cause of death globally and around 1 in 6 patients die with an estimated case of about 28.4 million in 2040. The lower survival rate in many of the cancer cases is due to the overexpression of COX-2 and mPGES-1 through COX/mPGES-1/PGE2 pathway. The use of COX inhibitors in clinical practice today has severe side effects in the gastrointestinal, cardiovascular systems and generally decreases the formation of prostanoids like PGE2, which are necessary for fundamental cellular processes. Hence, mPGES-1 would be a more effective and safer target. In this work, a virtual screening strategy involving ligand as well as structure-based design were employed to screen a wide array of diversified chemical compounds as a basic point to identify a potential molecule as inhibitor of mPGES-1 from the readily available commercial chemical database. LY3023703 an amino imidazole derivative a selective potent inhibitor of mPGES1 was used as a query molecule. The structurally similar compounds to this inhibitor were identified through virtual screening followed by molecular docking. The top 20 molecules showed a docking score range from -7.097 to -1.776. These molecules inhibited the same binding site as Indole 2-carboxylic acid and formed key amino acid interactions, in particular, most of the ligands showed interaction with Thr131 and His53. Following this two of the potent molecules were subjected to molecular dynamics studies for 100ns and their derivatives were chosen based on synthetic feasibility and characterized. The selective screening of mPGES-1 inhibitors for inflammation and various tumor types, would open new doors and might become a novel therapeutic strategy against cancer.