The phosphodiester link between the tyrosine residue of topoisomerase I and the 3′-phosphate of DNA is hydrolyzed by the DNA repair enzyme tyrosyl-DNA phosphodiesterase I (Tdp1), which is conserved throughout eukaryotes. A fully quantum mechanical, geometrically constrained model is proposed and used to study atomic-level aspects of the Tdp1 process. The crystal structure of human Tdp1 inhibited by vanadate serves as the structural underpinning for the computer model (hTdp1, Protein Data Bank entry 1RFF). To gather thermodynamic and kinetic information about the catalytic pathway, including the phosphoryl transfer and subsequent hydrolysis, density functional theory computations are employed. A five-coordinate phosphorane intermediate associative phosphoryl transfer mechanism is suggested by the location of transition states and intermediates along the reaction coordinate. Similar to phospholipase D theoretical and experimental results.
During my academic journey and professional career, I have had the privilege of engaging in diverse and enriching research experiences across different scientific domains. These experiences have shaped my passion for scientific inquiry and deepened my understanding of molecular and biological processes. In this research experience statement, I will highlight some of the key research projects I have been involved in and the valuable contributions I made to the scientific community. My research journey commenced during my undergraduate studies when I had the opportunity to intern at the Neuroscience Research Center at Dhaka University. Under the guidance of Prof. Dr. Mahmud Hossain, I was involved in a project aimed at analyzing neurotoxicity in the brain of a mouse model using molecular and behavioral analysis. This experience exposed me to cutting-edge research techniques and instilled in me the importance of meticulous data analysis and interpretation. Following my undergraduate s
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