Comprehensive extraction and NMR-based Metabolomics : novel approaches to natural products lead finding in drug discovery

Yuliana, N.D.

Yuliana, N.D. (2011)

Comprehensive extraction and NMR-based Metabolomics : novel approaches to natural products lead finding in drug discovery

Doctoral Thesis

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 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.

Drug discovery

Multivariate data analysis