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Bioorg Chem ; 143: 106985, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38007892

RESUMEN

A series of chromone derivatives bearing thiazolidine-2,4-dione moiety (5 âˆ¼ 37) were synthesized and evaluated for their PTP1B inhibitory activity, interaction analysis and effects on insulin pathway in palmitic acid (PA)-induced HepG2 cells. The results showed that all derivatives presented potential PTP1B inhibitory activity with IC50 values of 1.40 ± 0.04 âˆ¼ 16.83 ± 0.54 µM comparing to that of positive control lithocholic acid (IC50: 9.62 ± 0.14 µM). Among them, compound 9 had the strongest PTP1B inhibitory activity with the IC50 value of 1.40 ± 0.04 µM. Inhibition kinetic study revealed that compound 9 was a reversible mixed-type inhibitor against PTP1B. CD spectra results confirmed that compound 9 changed the secondary structure of PTP1B by their interaction. Molecular docking explained the detailed binding between compound 9 and PTP1B. Compound 9 also showed 19-fold of selectivity for PTP1B over TCPTP. Moreover compound 9 could recovery PA-induced insulin resistance by increasing the phosphorylation of IRSI and AKT. CETSA results showed that compound 9 significantly increased the thermal stability of PTP1B.


Asunto(s)
Inhibidores Enzimáticos , Proteína Tirosina Fosfatasa no Receptora Tipo 1 , Tiazolidinedionas , Simulación del Acoplamiento Molecular , Relación Estructura-Actividad , Tiazolidinas , Inhibidores Enzimáticos/química , Diseño de Fármacos , Ácido Palmítico/farmacología
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