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dc.contributor.authorDash, Swastika
dc.date.accessioned2018-08-31T04:13:38Z
dc.date.available2018-08-31T04:13:38Z
dc.date.issued2018
dc.identifier.citationDash, Swastika (2018) In Silico Identification of Novel Natural Inhibitors Of Carbohydrate Metabolic Pathway In Cancer Cellsen_US
dc.identifier.urihttp://kr.cup.edu.in/handle/32116/1811
dc.description.abstractCarbohydrate metabolism in cancer cells is linked to the 'Warburg Effect' which states that, under aerobic conditions, cancer cells metabolize approximately ten fold more glucose to lactate in a given time than normal cells; typically altered glycolytic pathway regulation. This has made the blocking of glycolytic pathway enzymes, a fascinating strategy to find treatment for cancer. This project addresses in a comprehensive manner the main glycolytic enzymes accounting for high-rate glycolysis in cancer cells. In addition, highlights of inhibitors that can be used to target the particular enzymes to decrease proliferation have also been done. Furthermore, besides the known inhibitors, receptor-based molecular docking of certain methylated flavonoids was performed with the proteins (isozymes of carbohydrate metabolic pathway enzymes) to find the lead inhibitors. The proteins used in the study are GLUT1 (4PYP), Hexokinase2 (2NZT), Phosphofructokinase2 (2AXN), Pyruvate kinaseM2 (3GQY), Lactate dehydrogenase A (4AJP) and Enolase2 (5IDZ). The dock scores were in the range of -5.88 to -9.68 against different target proteins. The methylated flavonoids 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen- 4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-chromen-4- one, 2-(3,4-dimethylphenyl)-5,7-dimethyl-4H-chromen-4-one and 6-hydroxy-3,5,7,8- tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one showed better dock scores for the target proteins in comparison to the standard inhibitors. Thus these methylated flavonoids might be considered promising leads for further development of glycolytic pathway inhibitors in cancer cells.en_US
dc.language.isoen_USen_US
dc.publisherCentral University of Punjaben_US
dc.subjectAnticancer potentialen_US
dc.subjectGlycolysisen_US
dc.subjectin silicoen_US
dc.subjectMethylated flavonoidsen_US
dc.subjectCarbohydrate metabolismen_US
dc.titleIn Silico Identification of Novel Natural Inhibitors Of Carbohydrate Metabolic Pathway In Cancer Cellsen_US
dc.typeMaster Dissertationen_US
dc.contributor.supervisorKumar, Shashank
dc.identifier.accessionnoT00644


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