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.
- Sodium-ion batteries: New storage mechanism for cathode materialsLi-ion and Na-ion batteries operate through a process called intercalation, where ions are stored and exchanged between two chemically different electrodes. In contrast, co-intercalation, a process in which both ions and solvent molecules are stored simultaneously, has traditionally been considered undesirable due to its tendency to cause rapid battery failure. Against this traditional view, an international research team led by Philipp Adelhelm has now demonstrated that co-intercalation can be a reversible and fast process for cathode materials in Na-ion batteries. The approach of jointly storing ions and solvents in cathode materials provides a new handle for the designing batteries with high efficiency and fast charging capabilities. The results are published in Nature Materials.
- 10 million euros in funding for UNITE – Startup Factory Berlin-BrandenburgUNITE – Startup Factory Berlin-Brandenburg has been recognised by the Federal Ministry for Economic Affairs and Energy as one of ten nationwide flagship projects for science-based start-ups. UNITE is to be established as a central transfer platform for technology-driven spin-offs from science and industry in the capital region. The Helmholtz Centre Berlin will also benefit from this.
- New department at HZB: ‘AI and Biomolecular Structures’Since 1 July 2025, Dr. Andrea Thorn has been setting up the new AI and Biomolecular Structures department at HZB. A biophysicist with many years of experience in AI-based tools for structural biology, she is looking forward to collaborating closely with the macromolecular crystallography team at the MX beamlines of BESSY II.