The development was carried out using computer simulation.
Scientists from Rockefeller University using computer simulations created a new antibiotic capable of killing even resistant bacteria. As Scitech daily reports, the drug, known as cilagicin, has shown effectiveness in mice and can be used to fight dangerous infections.
The results show that computer modeling can be used to develop a new class of antibiotics.
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“This isn't just a cool new molecule, it's a test of a new approach to drug discovery. This research is an example of combining computational biology, genetic sequencing and synthetic chemistry to unlock the secrets of bacterial evolution,” said Sean F. Brady of Rockefeller University.
For billions of years, bacteria have developed mechanisms that allow them to kill each other. Therefore, it is not surprising that the most effective antibiotics come from bacteria. With the exception of penicillin and some other drugs derived from fungi, most of the mechanisms behind antibiotics were originally used by bacteria against each other.
In the past, antibiotic development involved scientists growing streptomycetes or bacilli in the lab and distilling their secretions to treat human diseases. But with the emergence of resistant bacteria, there was a need for new compounds. It is likely that many new mechanisms are hidden in the genes of bacteria that are difficult or impossible to study in the laboratory.
In a new study, scientists turned to algorithms that, by studying genetic instructions, can predict the structure of antibiotic-like compounds that bacteria produce. . Organic chemists can then use this data and synthesize the compound in the laboratory.
However, the resulting compound may not always fully correspond to what is found in nature. The scientists note that they don't need a 100% match, just that the synthetic molecule be close enough to act similarly to the natural compound.
When creating a new molecule, researchers first turned to a database of bacterial genetic sequences. These genes have been suggested to be involved in killing other bacteria, but have not been studied before. The “cil” gene cluster, which had not yet been studied in this context, stood out for its proximity to other genes involved in the creation of antibiotics. The scientists entered its corresponding sequences into an algorithm that suggested several connections. One of them, called cilagicin, turned out to be an active antibiotic.
Tests have shown that cilagicin is able to kill bacteria in the laboratory without harming human cells. In addition, the drug successfully treated bacterial infections in mice. Importantly, cilagicin was effective against several drug-resistant bacteria. What's more, it was effective even against bacteria bred specifically to be resistant to the drug.
The scientists found that the drug works by binding two molecules, C55-P and C55-PP, both of which help support bacterial cell walls. Existing antibiotics such as bacitracin bind to one of these two molecules, but never both, and bacteria can often resist such drugs by binding the cell wall to the remaining molecule. Scientists believe that the ability of these drugs to bind both molecules can be a barrier that prevents bacterial resistance.
It is worth noting that the development is still experimental and far from being able to be tested on people.
Important! This publication is based on the latest and current scientific research in the field of medicine and has an exclusively general informational character. The publication cannot be the basis for establishing any diagnoses. If you are sick or need a diagnosis, see a doctor!
