Wang, Zengtao Liu, Zhiguo Lee, Woojung Kim, Su-Nam Yoon, Goo Cheon, Seung Hoon 2024-01-20T09:04:00Z 2024-01-20T09:04:00Z 2021-09-05 2014-08-01 0960-894X https://pubs.kist.re.kr/handle/201004/126493 A series of novel 5-(substituted benzylidene)thiazolidine-2,4-dione derivatives was designed, and synthesized based on our previous studies. Also their activities were evaluated as competitive inhibitors of protein tyrosine phosphatase 1B (PTP1B). Compounds 6d-6g, 7b, 7c, 7e, 7j, 7k, 7m, 14b and 14e-14f showed potent inhibitory effects against PTP1B, and compound 7e, the most potent among the series, had an IC50 of 4.6 mu M. Also a Surflex-Dock docking model of 7e was studied. Compound 7e showed a negative binding energy of -735 kcal/mol and a high affinity to PTP1B residues (Gly220, Ala217, Arg221, Asp181, Ser216, Cys215, Phe182, Gln262 and Ile219) in the active sites, indicating that it may stabilize the open form and generate tighter binding to the catalytic sites of PTP1B. (C) 2014 Elsevier Ltd. All rights reserved. English Pergamon Press Ltd. PTP1B 5-ARYLIDENE-2,4-THIAZOLIDINEDIONES OBESITY AGENTS RISK MICE Design, synthesis and docking study of 5-(substituted benzylidene)thiazolidine-2,4-dione derivatives as inhibitors of protein tyrosine phosphatase 1B Article 10.1016/j.bmcl.2014.05.099 1 Bioorganic & Medicinal Chemistry Letters, v.24, no.15, pp.3337 - 3340 Bioorganic & Medicinal Chemistry Letters 24 15 3337 3340 scie scopus 000339228700023 2-s2.0-84904049469 Chemistry, Medicinal Chemistry, Organic Pharmacology & Pharmacy Chemistry Article PTP1B 5-ARYLIDENE-2,4-THIAZOLIDINEDIONES OBESITY AGENTS RISK MICE Thiazolidinediones PTP1B Synthesis Docking study