Catalysis plays an essential role in modern chemical research and in the chemistry of life. It allows creating complex molecular structures and enables and accelerates transformations. A billion years of evolution has allowed the development of protein based enzymes as natural catalysts with high efficiency and selectivity. The creation of artificial catalytic systems inspired by nature has now become a timely human endeavor. DNA represents a largely untapped potential in this area. By equipping short DNA strands with protein like functional groups via chemical synthesis, artificial DNA based enzymes can be created with catalytic sites fitted onto the fairly rigid, programmable and predictable DNA duplex structure. In this project, Nuclear Magnetic Resonance spectroscopy, complemented by X-ray diffraction, is used to investigate,
the structure, conformation and chemical integrity of such DNAzymes. Two enzyme classes are
considered, inspired on serine proteases and esterases. In the process, novel spectroscopic
methodologies, relying in part on the introduction of certain stable isotopes will be developed.
When completed, an in depth view of the DNAzymes under investigation will be available and
an integrated structure analysis approach will have been outlined, both of which can be used to give valuable guidance in the design and development of future generations of these and other chemically modified DNAzymes.