C-H-bond activation in ribonucleotide reductases: a theoretical study

• Antragsteller: Professor Dr. Hendrik Zipse
• Fachliche Zuordnung: Stoffwechselphysiologie, Biochemie und Genetik der Mikroorganismen
• Förderung: Förderung von 1999 bis 2006
• Projektkennung: Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 5176960

The C-H bond activation process in ribonucleotide reductases will be studied using state of the art ab initio methods. The enzyme will be described as a set of free floating or partially restricted amino acid side chains interacting with model substrates. Once an arrangement and a selection of side chains has been found, which is in line with experimental observation, this array of functional groups can be used to study the chemistry of known reductase inhibitors and aid the design of new compounds with inhibitory activity.

• DFG-Verfahren: Schwerpunktprogramme
• Teilprojekt zu: SPP 1071: Radikale in der enzymatischen Katalyse