The chapters that comprised this thesis cover a broad range of subjects from analytical method development to clinical application of metabolic profiling. They are united by the facts that all of... Show moreThe chapters that comprised this thesis cover a broad range of subjects from analytical method development to clinical application of metabolic profiling. They are united by the facts that all of these studies aimed at analysis of biological fluids and that the presented methods and approaches may ultimately become parts of a robust metabolomics workflow that might be used in a future personalized medicine. Show less
Undoubtedly, grapes and wine are globally the most important fruit and food commodities, respectively. The first objective of this research is to optimize an extraction protocol suitable for grape... Show moreUndoubtedly, grapes and wine are globally the most important fruit and food commodities, respectively. The first objective of this research is to optimize an extraction protocol suitable for grape metabolic profiling followed by the application of that protocol to perform metabolic characterization of grape cultivar, wine types, and vintage using NMR spectroscopy in combination with chemometrics methods. This approach was also used to study different physiological processes in grapevine like ripening of berry and resistance against fungal pathogen. Metabolic characterization of different white wines to highlight the metabolites responsible for sensory attributes was also carried out. Another task of this research was to correlate the metabolic profiling data from grapes and wine with the bioactivity data using various multivariate regression models. Show less
Despite the rich diversity in molecular structures and biological functionality, the complex matrix of the compounds with a broad dynamic range has limited the use of plants as an important source... Show moreDespite the rich diversity in molecular structures and biological functionality, the complex matrix of the compounds with a broad dynamic range has limited the use of plants as an important source for drug development. Adressing this issue, several papers have described the use of the more holistic approach targeting on a wide range of metabolite present in plant extract, i.e. metabolomics. This new approach involves the use of various analytical methods followed by appropriate multivariate data analysis. The aim is to shorten the bioassay guided isolation route, particularly in the identification and dereplication step This thesis describes a new strategy to improve dereplication and identification steps in drug discovery process from plants. The integration of comprehensive extraction coupled to NMR metabolomics and multivariate data analysis is found to be a potential new approach to uncovering bioactive compounds from crude plant extracts. Show less
