New paper in Science journal

7. April 2021

Foto: DESY, Sebastian Günther

At the high-brilliance X-ray light source PETRA III of the Deutsches Elektronen Synchrotron, researchers were screening repurposing libraries for novel potentially safe inhibitors of the SARS-CoV-2 main protease. We, the research group AMD (Prof. Rarey), are honored to be part of the team searching for potential drugs and combining our virtual screening studies with real-life data. Molecular docking studies with our novel tool JAMDA (https://pubs.acs.org/doi/10.1021/acs.jcim.0c01095) supported some of the initial findings and will hopefully facilitate and foster further design studies. In a recent publication in the journal Science, the team of over 100 researchers presents the results of the highly laborious experimental studies and provide new insights into potential mechanisms for fighting COVID-19. The full paper can be found here.