Computational study of the effect of polysaccharide encapsulation on anti-cancer property of imatinib
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TextSubject(s): Dissertation note: Master of Science in Computational Science 2013-2015 EXT "Laboratory of Biopharmaceuticals and Nanomedicine, Division of Cancer Research, Regional Cancer Centre (RCC)" Summary: Imatinib is an antineoplastic agent used against Chronic Myeloid Leukemia (CML), Gastrointestinal Stromal Tumors (GISTs) and various other malignancies. Its action is different than other drugs in that it specifically targets an enzyme that allows CML cells to grow. Drug resistance associated with imatinib is the main problem facing in the treatment of patients. Nanoscale drug encapsulation becomes an outstanding approach to the medical field, thereby, avoids the side effects that occur in the traditional cancer treatment. Structure based drug design offers a computational approach to find out a lead compound that could become a drug. The present computational study aimed at the modification of a drug which is used for treating cancer patients for better results. A model of Galactoxyloglucan encapsulated Imatinib has been developed and computed the activity of this encapsulated drug against various cancer causing pathways such as DNA topoisomerase 2-beta(3QX3), Epidermal growth factor receptor(1M17) and Tyrosine-protein kinase ABL1(3QRJ). Computations indicate that the polysaccharide encapsulated drug is highly effective and targeted towards different cancer causing pathways.
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Project Reports
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Kerala University of Digital Sciences, Innovation and Technology Knowledge Centre | Not for loan | R-658 |
Master of Science in Computational Science 2013-2015 EXT T.K Manoj Kumar T.T Sreelekha ( Assistant Professor ) "Laboratory of Biopharmaceuticals and Nanomedicine, Division of Cancer Research, Regional Cancer Centre (RCC)"
Imatinib is an antineoplastic agent used against Chronic Myeloid Leukemia (CML), Gastrointestinal Stromal Tumors (GISTs) and various other malignancies. Its action is different than other drugs in that it specifically targets an enzyme that allows CML cells to grow. Drug resistance associated with imatinib is the main problem facing in the treatment of patients. Nanoscale drug encapsulation becomes an outstanding approach to the medical field, thereby, avoids the side effects that occur in the traditional cancer treatment. Structure based drug design offers a computational approach to find out a lead compound that could become a drug. The present computational study aimed at the modification of a drug which is used for treating cancer patients for better results. A model of Galactoxyloglucan encapsulated Imatinib has been developed and computed the activity of this encapsulated drug against various cancer causing pathways such as DNA topoisomerase 2-beta(3QX3), Epidermal growth factor receptor(1M17) and Tyrosine-protein kinase ABL1(3QRJ). Computations indicate that the polysaccharide encapsulated drug is highly effective and targeted towards different cancer causing pathways.
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