Ontology highlight
ABSTRACT:
SUBMITTER: Perna AM
PROVIDER: S-EPMC6311382 | biostudies-literature | 2015 Aug
REPOSITORIES: biostudies-literature
Angewandte Chemie (International ed. in English) 20150609 35
Sustained identification of innovative chemical entities is key for the success of chemical biology and drug discovery. We report the fragment-based, computer-assisted de novo design of a small molecule inhibiting Helicobacter pylori HtrA protease. Molecular binding of the designed compound to HtrA was confirmed through biophysical methods, supporting its functional activity in vitro. Hit expansion led to the identification of the currently best-in-class HtrA inhibitor. The results obtained rein ...[more]