Martinez, Ana; Alonso, Mercedes; Castro, Ana; Dorronsoro, Isabel; Gelpi, J. Luis; Luque, F. Javier; Perez, Concepcion; Moreno, Francisco J. published the artcile< SAR and 3D-QSAR Studies on Thiadiazolidinone Derivatives: Exploration of Structural Requirements for Glycogen Synthase Kinase 3 Inhibitors>, Safety of 3-Benzyl-2-thioxothiazolidin-4-one, the main research area is thiadiazolidinone derivative preparation QSAR glycogen synthase kinase 3 inhibitor.
The 2,4-disubstituted thiadiazolidinones (TDZD) are described as the first ATP-noncompetitive GSK-3 inhibitors. Following an SAR study about TDZD, different structural modifications in the heterocyclic ring aimed to test the influence of each heteroatom on the biol. study are here reported here. Various compounds such as hydantoins, dithiazolidindiones, rhodanines, maleimides, and triazoles were synthesized and screened as GSK-3 inhibitors. After an extensive SAR study among these different heterocyclic families, TDZDs have been revealed as a privileged scaffold for the selective inhibition of GSK-3. A Co-MFA anal. was also performed highlighting the mol. electrostatic field interaction in the interaction of TDZDs with GSK-3. Moreover, first mapping studies indicate two binding modes which in turn might imply relevant differences in the mechanism that underly the inhibitory activity of TDZDs.
Journal of Medicinal Chemistry published new progress about Conformation. 10574-69-3 belongs to class thiazole, and the molecular formula is C10H9NOS2, Safety of 3-Benzyl-2-thioxothiazolidin-4-one.
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica