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

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International Journal of Chemistry and Technology
Volume:2 Issue:2
Theoretical approach using DFT and muscle relaxant effects of 5-Chloroisatin Derivatives

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

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

Pages : 105-115

Doi:10.32571/ijct.446539

View : 34 | Download : 9

Publication Date : 2018-12-28

Article Type : Research Paper

Abstract :A new series of 5-Chloroisatin derivatives were synthesied and characterises with different characterization methods such as 1 H-NMR and1 3 C-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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