Design, Synthesis, Docking, 2D-QSAR Modelling, Anticancer and Antioxidant Evaluation of Some New Azo-Compounds Derivatives and Investigation of Their Fluorescence Properties

Faculty Science Year: 2022
Type of Publication: ZU Hosted Pages: 14
Authors:
weSam Saber Mohammed Shehab
Journal: ChemistrySelect Wiley Volume: Volume 7
Keywords : Design, Synthesis, Docking, 2D-QSAR Modelling, Anticancer    
Abstract:
In this article, A number of diazine and triazine molecules were synthesized by using innovative methods. All the obtained compounds were elucidated by means of IR, 1H- NMR, 13C- NMR, and mass spectra. The effect of the compounds on human cancer (HEPG-2) and (MCF-7) was revealed as well as studying their antioxidant, antimicrobial activity. However, the main biological activity on this protocol was as an anticancer on human cancer (HEPG-2) and (MCF-7), and this activity was supported by computational studies (molecular docking and 2D-QSAR modelling (2015)). The molecular docking provides more information regarding the ways that the chemicals created can attach to the DNA-binding domain of Topoisomerase I (PDB ID: 1RR8). The predicted IC50 of the prepared compounds was related to the predicted IC50 by using QSAR through MOE software.
    
     
 
       

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