1246847-08-4Relevant academic research and scientific papers
Synthesis, molecular dynamic, and in silico study of new ethyl 4-arylpyrimido[1,2-b]indazole-2-carboxylate: Potential inhibitors of α-glucosidase
Adib, Mehdi,Azizian, Homa,Biglar, Mahmood,Faramarzi, Mohammad Ali,Gashghaee, Mojtaba,Larijani, Bagher,Mahdavi, Mohammad,Mohammadi-Khanaposhtani, Maryam,Mojtabavi, Somayeh,Rastegar, Hossein,Rezaei, Yahya
, (2022/02/19)
A new series of ethyl 4-arylpyrimido[1,2-b]indazole-2-carboxylate derivatives 7a-p were synthesized and screened for their α-glucosidase inhibitory activity. The half of these new compounds displayed inhibitory activity against α-glucosidase, with IC50 values in the range of 66.98 ± 0.05–650.30 ± 0.08 μM as compared to acarbose as standard inhibitor with IC50 value of 762.59 ± 0.04 μM. Among the title compounds, compound 7n presented the most inhibition effect against α-glucosidase. Kinetic study revealed that compound 7n is a competitive inhibitor with a Ki value of 66 μM. In addition, by performing molecular dynamic investigation and MM-GBSA calculation, we investigated the difference in structural perturbation and dynamic behavior that is observed over α-glucosidase in complex with the most active compound and acarbose relative to unbound α-glucosidase enzyme.
A simple and versatile protocol for the preparation of 1,3-functionalized heterocycles utilizing benzoylpyruvates
Nolsoee, Jens M. J.,Ertan, Anne,Svensson, Mats,Weigelt, Dirk
experimental part, p. 878 - 886 (2010/08/22)
(Chemical Equation Presented) Additional Supporting Information may be found in the online version of this article. (Chemical Equation Presented) Acid-mediated condensation between benzoylpyruvates and various dinucleophiles in alcoholic solvent furnished the heterocyclic imprint in moderate to good yield. Combining a range of symmetric as well as nonsymmetric nitrogen/nitrogen or nitrogen/carbon centered dinucleophiles resulted in excellent regioselectivity. γ-Difunctionalized fused pyrimidines, pyridazines, and pyridines were produced in this manner. The protocol was designed to obviate chromatographic purification.
