Modeling of Kinases Inhibitors : 3D-QSAR, Moecular Docking and ADMET

Modeling of Kinases Inhibitors : 3D-QSAR, Moecular Docking and ADMET

Modeling of Organic Bioactive Molecules Using 3D-QSAR Analysis, Moecular Docking and Preliminary ADMET Evaluation

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The human kinome contains 518 proteins. They share a common mechanism of protein phosphorylation known to play an important role in cellular signaling pathways. Impaired kinase function is recognized to be involved in severe diseases like cancer. The challenge of this PhD work is the in silico identification of potentially interesting molecules concerning the inhibitory process of a set of protein kinases, namely PIM1, PIM2, CDC7, DRAK2 and CAMKIId. The faculty of this protein to interact in differentiation, proliferation and tissue repair phenomena makes their inhibitions crucial for treatmen...