Zineb TRİBAK, Alae CHDA, Mohammed Khalid SKALLİ, Amal HAOUDİ, Youssef Kandri RODİ, Omar SENHAJİ, El Mokhtar ESSASSİ, Rachid Ben CHEİKH, Kaouakib EL ABİDA

Theoretical approach using DFT and muscle relaxant effects of 5-Chloroisatin Derivatives

A new series of 5-Chloroisatin derivatives were synthesied and characterises with different characterization methods such as 1H-NMR and13C-NMR spectroscopy, and then tested for their myorelaxant activity. Computational investigations of the compounds 1a-3a, 2b and 4b on the muscle-relaxing effects performance were performed by using the DFT method with B3LYP functional. The result of descriptors calculation revealed that the theoretical approach was in good agreement with the reported experimental data.

Keywords:

5-Chloroisatin derivatives, B3LYP functional and DFT method, synthesis, myorelaxant effects,

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