Repurposing Anthelmintic Drugs as inhibitors of mutant BCR-ABL Kinase in CML Patients

from Molecular Docking, Molecular Dynamics and DFT insight

Amir Hossein Gholizadeh

Supervisor:
Dr. Nima Razzaghi-Asl

Ardabil University of Medical Sciences
School of pharmacy
Thesis submitted for degree of PharmD

DOCKING RESULT

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Binding Info

ΔG: - kcal/mol
RMSD: - Å
H-Bonds: -
Hydrophobic: -

MD RESULT

RMSD Analysis

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RMSF Analysis

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Radius of Gyration (Rg)

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Hydrogen Bonds

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SASA Analysis

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Binding Energy

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