Comparison of the binding curcumin and Imatinib to some oncogenic tyrosine kinases

Background: Some tyrosine kinases, including c-SRC, c-ABL, and BCR-ABL, are essential in cancerpromotion and progression. Some compounds bind to the kinases and inhibit their functions and reducecancer development. This study chose two crucial compounds, Imatinib and curcumin, to compare theirbinding to the kinases and calculate their affinity.Methods: Autodock-vina, ViewerLit, BIOVIA, LIGPLOT+, and OpenBable. To clarify the active site, weused BIOVIA; both Autodock and Autodock Vina have analyzed the interaction between drug and protein.Results: The results of the Autodock-vina software (CPU ۸ and RMSD: ۰.۰۰۰) showed that Imatinib had themost affinity to c-SRC protein with affinity energy -۹.۱ kcal/ mole. Curcumin on c-ABL protein with affinityenergy -۷.۸ kcal/mole had the most significant impact.Discussion: As the results showed, Imatinib and curcumin bind effectively to c-Src and c-ABL, respectively.Therefore the compounds may reduce the growth of the cancer cells overexpressing the kinases. These resultsare theoretical and require laboratory and experimental results.

Keywords:

Keywords: Molecular Docking , ligand , Autodock , BCR-ABL , c-Src , c-ABL