Developing a new drug is a lengthy process requiring colossal resources. However, modern technologies are fundamentally changing the rules of the game in the pharmaceutical industry. How exactly do computer algorithms help scientists create effective and safe medications? Alexander  Tuzikov, Head of the Laboratory of Mathematical Cybernetics at the Unite Institute for Informatics Problems of the National Academy of Sciences of Belarus, Corresponding Member of the National Academy of Sciences of Belarus, Doctor of Physical and Mathematical Sciences, and Professor, discusses this in the new episode of the " Simply About Science" podcast.

Computer-aided drug design is based on the key task of selection: from thousands of potentially active molecules, the only one that will become a drug must be found. Computer modeling allows us to simulate the interaction of a molecule with a biological target, eliminating unpromising variants before laboratory testing begins, saving time and money. Furthermore, one of the key advantages of digital technologies is the ability to predict the side effects of medications.

Furthermore, AI is capable of not only analyzing existing databases but also generating entirely new, previously unknown chemical compounds with desired properties. The effectiveness of this approach has been proven in practice. During the coronavirus pandemic, scientists used computer modeling to quickly discover and repurpose existing drugs. Similar methods are currently being used in the fight against tuberculosis.

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