In silico evaluation of cis-dihydroxy-indeno[1,2-d]imidazolones as inhibitors of glycogen synthase kinase-3: synthesis, molecular docking, physicochemical data, ADMET,MD simulation, and DFT calculations

In silico evaluation of cis-dihydroxy-indeno[1,2-d]imidazolones as inhibitors of glycogen synthase kinase-3: synthesis, molecular docking, physicochemical data, ADMET,MD simulation, and DFT calculations

A new series of cis-dihydroxy-indeno[1,2-d]imidazolone compounds with distinct structures were synthesized to investigate their potential as inhibitors of the Glycogen synthase kinase 3 (GSK-3). The synthesized compounds were thoroughly characterized using IR, Mass, 1H, and 13C NMR, and in silico sc...

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Bibliographic Details
Main Authors: Nahid Mahmoodi, Mohammad Bayat, Davood Gheidari, Zahra Sadeghian
Format: Article
Language:English
Published: Springer 2024-07-01
Series:Journal of Saudi Chemical Society
Subjects:
Cis-dihydroxy-indeno[1,2-d]imidazolones
Glycogen synthase kinase-3
Molecular docking
Physicochemical data
ADMET
MD simulation
Online Access:http://www.sciencedirect.com/science/article/pii/S1319610324000899
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