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

UNSAL-TAN, OYA; OZADALI, KERİMAN; Piskin, Kevser; BALKAN, AYLA

doi:10.1016/j.ejmech.2012.08.046

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

Atıf İçin Kopyala

UNSAL-TAN O., OZADALI K., Piskin K., BALKAN A.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, cilt.57, ss.59-64, 2012 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 57
Basım Tarihi: 2012
Doi Numarası: 10.1016/j.ejmech.2012.08.046
Dergi Adı: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.59-64
Hacettepe Üniversitesi Adresli: Evet

Özet

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. (C) 2012 Elsevier Masson SAS. All rights reserved.