HOMOLOGY MODELING OF HUMAN ASPARAGINASE LIKE PROTEIN AND ITS MOLECULAR INTERACTION STUDIES WITH NATURAL FLAVONOIDS

Asparaginase is used to treat acute lymphoblastic leukemia. Acute lymphoblastic leukaemia is seen in both adults and children. It is a most common pediatric cancer, the disease is more common in ages between 2-5 years children. The causative source of acute lymphoblastic leukaemia to be multiple routes, by genetic susceptibility, endogenous exposure or exogenous exposure. L-asparaginase catalyzes the hydrolysis of L-asparagine to L-aspartic acid. L-asparaginase is commonly used as an antineoplastic agent in lymphoblastic leukaemia chemotherapy. We assumed that a structural bioinformatics approach utilizing homology-based molecular modelling and docking approaches. We used sequence data and a homology-based approach to construct a 3D-structural model of asparaginase-like protein from NCBI (GenBank: AAM28434.1). The predicted model was then used to perform molecular docking simulations with natural flavonoid derivatives to assess their ability. The ligand binding residues were found to be similar to the predicted active site residues.