Successful interdisciplinary collaboration in the field of research of new drugs is bearing fruit. The CaverDock software, developed by Jiří Filipovič's team, significantly helps to speed up simulations of the protein, which is key in the spread of the SARS-CoV-2 virus. As a result, scientists are closer to finding drugs that can block the function of this protein and prevent the disease and the progression of a pandemic.
Accelerate drug development against COVID-19
RECETOX MU and the International Center for Clinical Research of the University Hospital at St. Anny in Brno (FNUSA-ICRC), our researchers focused on the use of artificial intelligence in the fight against a pandemic. Using CaverDock, they tested over 4,000 previously approved drugs and found several molecules in a huge number of these samples that could prevent the virus from spreading in the human body. Thanks to these findings, the development of a new effective drug that could prevent COVID-19 could be accelerated several times.
"CaverDock is a relatively new tool, but we intend to continue to develop it and expand its functionality. In this project, we also used it for the first time to study such a large number of molecules," says Jiří Filipovič, who is the author behind the algorithms used in the program.