X-ray lightsource at DESY identifies promising candidates for COVID drugs
Electron density map of the most antiviral active ingredient calpeptin (yellow) binding at the main protease. © DESY/Sebastian Günther
At DESY's high-brilliance X-ray light source PETRA III, a team from more than 30 research institutions has identified several candidates for active substances against the coronavirus SARS-CoV-2. They bind to an important protein of the virus and could thus be the basis for a drug against Covid-19. The MX team from HZB examined part of the measurement data with special analysis algorithms in order to identify suitable active substances. The study has now been published in the renowned journal Science.
In a so-called X-ray screening, the researchers, under the leadership of DESY, tested almost 6000 known active substances that already exist for the treatment of other diseases in a short amount of time. After measuring about 7000 samples, the team was able to identify a total of 37 substances that bind to the main protease (Mpro) of the SARS-CoV-2 virus, as the scientists report online today in the journal Science. Seven of these substances inhibit the activity of the protein and thus slow down the multiplication of the virus. Two of them do this so promisingly that they are currently under further investigation in preclinical studies. This drug screening – probably the largest of its kind – also revealed a new binding site on the main protease of the virus to which drugs can couple.
“The active substances Calpeptin and Pelitinib clearly showed the highest antivirality with good cell compatibility. Our cooperation partners have therefore already started preclinical investigations with these two substances,” explains DESY researcher Sebastian Günther, first author of the Science publication.
In addition to DESY scientists, researchers from the Universities of Hamburg and Lübeck, the Bernhard Nocht Institute for Tropical Medicine, the Fraunhofer Institute for Translational Medicine and Pharmacology, the Heinrich Pette Institute, the European XFEL, the European Molecular Biology Laboratory EMBL, the Max Planck Society, the Helmholtz-Zentrum Berlin and other institutions are involved in the work.
Note: This is a shortened version of the full text of the press release published at DESY Website.
- Joint power instead of duplicate structures:Berlin’s research community is further advancing its research excellence by establishing a high-performance, cross-institutional infrastructure for data and AI. With a joint agreement signed on 18 September 2026, the Berlin University Alliance (BUA), the Helmholtz-Zentrum Berlin (HZB) and the Zuse Institute Berlin (ZIB) are paving the way for a joint data science and AI centre in Berlin-Dahlem and Adlershof.
- New technique could make MRI more preciseA team of researchers at the University of Stuttgart and HZB has developed a new method that could make MRI even more precise by eliminating “dead time,” a key limiting factor in the measurement process, thereby enabling the detection of signals that are lost using conventional methods. This method opens up new possibilities for medical diagnostics and non-destructive materials testing. The research team presents the new approach in Science Advances.
- Marcel Risch has been appointed Professor at the Freie Universität BerlinMarcel Risch was appointed to a W2-S professorship in the Department of Physics at Freie Universität Berlin in August 2026. His research group has been transformed into the department 'Mechanisms of Sustainable Electrocatalysis'. Risch investigates the fundamental mechanisms of electrocatalytic reactions and, on this basis, develops knowledge- and data-driven strategies to improve electrocatalysts for the sustainable production of hydrogen, fuels and chemicals.