la conception d’un inhibiteur de tyrosine kinase par ammarage moléculaire

Abstract

ancer is a major public health problem worldwide where it is the second leading cause of death. With the evidence of increasing rates of resistance to cancer treatment, the continued need for new drug development is evident. . In this work, we attempted to propose novel c-KIT tyrosine kinase inhibitors as a therapeutic target for cancer; because it is involved in the proliferation process of tumor cells. To achieve our goal, we used molecular docking using the MVD program. By molecular docking of a collection of 124 chemical similars (of 5 known ligands) from the ZINC database to the active site of the cKIT tyrosine kinase, the interaction energy was improved up to - 160.310 KJ / mole in the case of the L8 ligand. Finally, the application of the LIPINSKI and VEBER rules to the 10 best similars of the reference ligands provides us with positive information concerning the ADME properties of all these similars with the exception of the L7 ligand, which makes it possible to consider the latter as being new. Potential Tyrosine Kinase c-KIT Inhibitors.