Molecular modeling, synthesis and screening of some new 4-thiazolidinone derivatives with promising selective COX-2 inhibitory activity

作者：Unsal Tan Oya^*; Ozadali Keriman; Piskin Kevser; Balkan Ayla

来源：European Journal of Medicinal Chemistry, 2012, 57: 59-64.

DOI：10.1016/j.ejmech.2012.08.046

• Cyclooxygenase enzyme
• 4-Thiazolidinone
• Docking

In order to develop new selective cyclooxygenase-2 inhibitors, a series of novel 2-aryl-3-(4-sulfamoyl/methylsulfonylphenylamino)-4-thiazolidinones were designed. Molecular modeling studies with COX-2 enzyme were performed by using MOE program. The designed compounds with reasonable binding modes and high docking scores were synthesized. Their COX-1/COX-2 inhibitory activities were evaluated in vitro, using NS-398 and indomethacine as reference compounds. Compounds possessing methyl group (3d and 4d) on the phenyl ring exhibited highly COX-2 inhibitory selectivity and potency.

• 出版日期2012-11