OREANDA-NEWS For the first time, SamSTU scientists have obtained a computer model of the coronavirus helicase protein and are now looking for ways to influence it at the molecular level. In their opinion, in the future it will help to find an effective drug for the treatment of COVID-19. The results of the study are published in the journal Current Computer-Aided Drug Design.

Helicases are a class of enzymes found in all living organisms. Their main function is to separate two strands of a DNA molecule or intramolecular bonds in RNA. It is the helicases that contribute to the spread of coronavirus in the body through replication.

Scientists from Samara State Technical University (SamSTU, Samara Polytechnic University) studied the helicase of coronavirus and turned to computer modeling to search for its inhibitors – substances that selectively inhibit the activity of helicase.

"An important aspect of the SARS-CoV-2 life cycle is the reproduction of the virus' genetic material. Helicase is directly involved in this process, as it unwinds the RNA of the virus and allows other proteins (replicases) to "take off" its copy," explained Vadim Shiryaev, associate professor of the Department of Organic Chemistry at Samara Polytechnic University.

In his opinion, understanding the mechanism of this protein at the microlevel will facilitate the search for potential effective drugs for the treatment of COVID-19.