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In silico Screening for Identification of Novel Aurora Kinase Inhibitors by Molecular Docking, Dynamics Simulations and Ligand-Based Hypothesis Approaches

Aurora kinase family members are involved in a wide variety of cell cycle events including centrosome separation, cytokinesis, kinetochore formation, spindle assembly, chromosomal segregation and microtubule dynamics. Typically, dysfunction of Aurora proteins is associated with aneuploidy, cell death and mitotic arrest, leading to tumorigenesis. This spurred a vast interest to identify pharmacologically active small-molecule inhibitors of Aurora proteins. In this study, we isolated four novel inhibitors through virtual screening and docking analyses.

 

Citation: Batool S, Ferdous S, Kamal MA, Iftikhar H, Rashid S (2013) In silico Screening for Identification of Novel Aurora Kinase Inhibitors by Molecular Docking, Dynamics Simulations and Ligand-Based Hypothesis Approaches. Enz Eng 2:106. doi: 10.4172/2329-6674.1000106

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