Probing the dynamics and binding properties of fluorinated drugs ionic liquides and biomolecules via NMR relaxation and diffusion experiments

Abstract

NMR has applications in several different fields such as drug discovery and design, newlinestructure and dynamics of biomolecules, drug delivery, medicine, material science, newlineenvironmental science and metabolomics. One of the most important applications of newlineNMR is to study drug dynamics and drug interactions with different molecules includ- newlineing proteins. This thesis is an attempt to study drug behavior in different environments, newlineand drug interactions and dynamics by using NMR relaxation and diffusion experi- newlinements. Further, NMR spectroscopy is among the main analytical techniques that can newlinebe used for metabolomics studies as it can accurately quantify and detect metabolites in newlinecomplex mixtures, with minimal sample preparation. The fast profiling of metabolite newlinemixtures by using 2D NMR techniques and their chemometric analysis is a problem newlineof current interest and several attempts have been made in recent years in this direc- newlinetion. We have utilized a fast 2D heteronuclear correlation NMR experiment to perform newlinefull chemometric analysis of metabolites in a variety of model systems. Results were newlinecompared with standard 2D NMR correlation experiments and reported in the thesis. newlineThe contents of the thesis have been divided into six chapters whose brief account is newlinesketched below: newline