The results of the study were published in Nature Biotechnology. As a part of the study, scientists combined quantum calculations with traditional calculation methods and AI, which made it possible to create molecules that can affect the kras protein, the characteristic of any type of cancer, which led to uncontrolled cell growth. .
Despite the prevalence of mutations in Kras, there are only two drugs that are currently approved by the FDA for this protein and their activities are limited – they extend the life of patients only a few months compared to traditional chemotherapy. This emphasizes the need to develop more effective treatment methods.
Scientists used quantum calculations to design new molecules. The process was optimized using a unique database of 1.1 million molecules, which made it possible to define the most promising 15 most promising islands for laboratory tests. Two of them had a strong impact on various versions of mutated Kras, which opened new expectations to fight against cancer.
Source: Ferra
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