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

Unsal-Tan O., Ozadali K., Piskin K., BALKAN A.

European Journal of Medicinal Chemistry, vol.57, pp.59-64, 2012 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 57
  • Publication Date: 2012
  • Doi Number: 10.1016/j.ejmech.2012.08.046
  • Journal Name: European Journal of Medicinal Chemistry
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.59-64
  • Keywords: Cyclooxygenase enzyme, 4-Thiazolidinone, Docking, CYCLOOXYGENASE, SYNTHASE, DAMAGE, CELLS
  • Lokman Hekim University Affiliated: No


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. © 2012 Elsevier Masson SAS. All rights reserved.