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Online Journal of Bioinformatics ©
Volume 16(3): 293-302, 2015.
S. Aravinth Vijay Jesuraj1*, S. Marylin Jeya Praya2, M. Ravikumar3
1Centre for Pharmaceutical Sciences, JNT University, Kukatpally, Hyderabad 500 085, Telengana State, 2Faculty of Pharmacy, Lincoln University College, 47301 Petaling Jaya, Malaysia. 3Faculty of Pharmacy, Geethanjali College of Pharmacy, Cheerial, Keesara, Telengana, India.
Vijay Jesuraj SA, Jeya Praya SM, Ravikumar M., Model of protein docking l-glutaminase for anti-cancer activity, Onl J Bioinform., 16(3): 293-302, 2015. L-Glutaminase from Aeromonas veronii was modeled and evaluated for docking with open eye software against B-cell lymphoma 2 (BCL2) involved in colon adenocarcinoma. A 3D model of L-Glutaminase was generated using 2BY A as template with Modeller7v7. The model was refined by Procheck and Verify 3D graph. ARG 18, THR15, LEU42 residues in L-glutaminase had strong hydrogen bonding with Iturin A. Docking revealed highest L-glutaminase binding value of -201.59K.cal/mol and orientation in BCL-2 binding pocket surrounding active site suggesting that it may inhibit BCL-2.
Key words: Cancer, L-Glutaminase, BCL-2, Modelling, Protein docking