1st International and 10th National Iranian Conference on Bioinformatics
Home Accepted Papers
Comparison of the binding curcumin and Imatinib to some oncogenic tyrosine kinases
Paper ID : 1237-ICB10
Authors:
Hanie Abdollahzade *1, Yaghub Pazhang2
1Sarv Road, Urmia University, Faculty of Science, Department of Biology
2Department of biology, faculty of sciences, Urmia University, Urmia, Iran
Abstract:
Background: Some tyrosine kinases, including c-SRC, c-ABL, and BCR-ABL, are essential in cancer promotion and progression. Some compounds bind to the kinases and inhibit their functions and reduce cancer development. This study chose two crucial compounds, Imatinib and curcumin, to compare their binding to the kinases and calculate their affinity.
Methods: Autodock-vina, ViewerLit, BIOVIA, LIGPLOT+, and OpenBable. To clarify the active site, we used BIOVIA; both Autodock and Autodock Vina have analyzed the interaction between drug and protein.
Results: The results of the Autodock-vina software (CPU 8 and RMSD: 0.000) showed that Imatinib had the most affinity to c-SRC protein with affinity energy -9.1 kcal/ mole. Curcumin on c-ABL protein with affinity energy -7.8 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 results are theoretical and require laboratory and experimental results.
Keywords:
Keywords: Molecular Docking, ligand, Autodock, BCR-ABL, c-Src, c-ABL
Status : Paper Accepted (Poster Presentation)