Inhibitors of the Herbicidal Target IspD: Allosteric Site Binding

Abstract

The pick of the pockets: The first inhibitors for IspD, an enzyme from the non-mevalonate pathway of isoprenoid biosynthesis, are described. High-throughput-screening revealed a hit with an IC50 value of 140 nM. Co-crystal structure analyses of the binding mode in the newly formed allosteric pocket (see structure, red ball: water O atom), lead to the synthesis of a set of 17 derivatives which were tested to optimize the herbicidal activity. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.