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

Year 2018, , 105 - 115, 28.12.2018

Zineb Tribak , Alae Chda Mohammed Khalid Skalli Amal Haoudi Youssef Kandri Rodi Omar Senhaji El Mokhtar Essassi Rachid Ben Cheikh Kaouakib El Abida

https://doi.org/10.32571/ijct.446539

Cited By: 2

Abstract

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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