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.
- How carbonates influence CO2-to-fuel conversionResearchers from the Helmholtz Zentrum Berlin (HZB) and the Fritz Haber Institute of the Max Planck Society (FHI) have uncovered how carbonate molecules affect the conversion of CO2 into valuable fuels on gold electrocatalysts. Their findings reveal key molecular mechanisms in CO2 electrocatalysis and hydrogen evolution, pointing to new strategies for improving energy efficiency and reaction selectivity.
- Peat as a sustainable precursor for fuel cell catalyst materialsIron-nitrogen-carbon catalysts have the potential to replace the more expensive platinum catalysts currently used in fuel cells. This is shown by a study conducted by researchers from the Helmholtz-Zentrum Berlin (HZB), Physikalisch-Technische Bundesanstalt (PTB) and universities in Tartu and Tallinn, Estonia. At BESSY II, the team observed the formation of complex microstructures within various samples. They then analysed which structural parameters were particularly important for fostering the preferred electrochemical reactions. The raw material for such catalysts is well decomposed peat.
- Susanne Nies appointed to EU advisory group on Green DealDr. Susanne Nies heads the Green Deal Ukraina project at HZB, which aims to support the development of a sustainable energy system in Ukraine. The energy expert has now also been appointed to the European Commission's scientific advisory group to comment on regulatory burdens in connection with the net-zero target (DG GROW).