We at Chemspace want to contribute to the world’s fight against COVID-19 as much as we can. That is why we have selected 2 compound sets from our in-stock and make-on-demand parts of the database, both based on compounds that are experimentally or virtually active against SARS-CoV/SARS-CoV-2 proteases.
Please contact us at firstname.lastname@example.org for more details.
In the recent paper, a group of researchers from University of Basel published their results of ultra-large virtual screening of 687 Million Compounds against SARS-CoV-2 protease. They selected 11 drug-like hits with improved binding free energy to the target protease. We are ready to deliver 8 of 11 compounds and their nearest analogs for wet screening – please see the Part 1 Fight COVID2 set.
The Part 2 Fight COVID2 set consists of in-stock screening compounds similar or possessing the same Murcko scaffold as the experimentally active compounds for inhibition of SARS-CoV protease. The reference compounds were selected from PubChem and ChEMBL databases.