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Khaldia Merdja on Muck Rack

Khaldia Merdja

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Articles

Synthesis, spectroscopic characterization and computational evaluation of 2-alkylthio imidazol-4-one derivatives as potential CDK5 inhibitors

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By Mohamed Arbi Khlifi, Abdullah Alanazi, Yousef A. Alsabah, Abdelaziz Rabehi, Khedidja Merdja, Khaldia Merdja, Mansour Debdab, Yassine Chaker
| Nature Verified
Abstract The compounds 2(b-d) of 2-thiohydantoin derivative were synthesized via an S-alkylation reaction, following an aniline-based transamination step. The synthesized compounds were characterized and structurally validated using NMR analysis. Computational methods, including Density Functional Theory (DFT), Molecular Docking, and Molecular Dynamics simulations, were applied to explore their chemical properties.
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