Employees of the Laboratory of Computing Systems and Applied Programming Technologies of the Research Computing Center of Moscow State University began a search for a medicine for coronavirus infection using the Lomonosov supercomputer.
The results of their work will be checked experimentally in the laboratory of antiviral and disinfectants of the Institute of Virology named after D.I. Ivanovsky.
According to the researchers, a potential drug for coronavirus infection will act on the active centers of the target proteins of the SARS-CoV-2 virus and block it. The Lomonosov supercomputer will significantly accelerate the search for a drug: it will select molecules using the docking method - molecular modeling. It is assumed that the computer will be able to "pick up" the right medicine in a short time.
“If we block the work of the target protein using a molecule that selectively contacts it in its active center, then the development of the disease will stop ,” said Vladimir Sulimov, head of the laboratory of computer systems and applied programming technologies of the Scientific Research Center of Moscow State University.
- Large-scale calculations will last several days
- RIA News
- © Pavel Kononov
According to scientists, "Lomonosov" will search for the necessary molecules, design new ones, supercomputer docking and experimental testing of the activity of molecules.
Large-scale calculations on the supercomputer of Lomonosov Moscow State University will last several days.
According to the researchers, experimental confirmation can be expected no earlier than in a few months.