UGM & Conference in Europe

Inhibitors of the Herbicidal Target IspD: Halogen Bonding in an Allosteric Pocket

Matthias Witschel
Principal Scientist, BASF SE
(FRIDAY, May 19 - Scientific Presentations, 09:00-09:30)

Due to the dramatic development of resistance against herbicides, there is an urgent need for new products with novel modes of action. The enzyme IspD from the MEP-pathway leading to isoprenoids has been identified as such a new herbicidal target. Leads based on HTS-screening campaigns were binding in a newly formed allosteric pocket. Fine tuning halogen bonding interactions, potent inhibitors could be developed and characterized with a series of crystal structures. The mechanism of inhibition could be further analyzed with mutations in the active site and a hypothesis for the function of this allosteric pocket could be developed.