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Researchers at McMaster University and Stanford University have achieved a groundbreaking milestone in the fight against drug-resistant bacteria with the invention of a new generative artificial intelligence model. This innovative model, named SyntheMol, has the capability to design billions of new antibiotic molecules that are not only effective but also inexpensive and easy to synthesize in laboratory settings.
The escalating global threat posed by drug-resistant bacteria has spurred an urgent need for novel antibiotics. However, conventional methods of drug discovery often fall short in isolating promising chemical compounds, particularly when coupled with the challenges of manufacturing and laboratory testing.
In a groundbreaking study published today in the journal Nature Machine Intelligence, researchers unveil SyntheMol’s ability to design new antibiotics aimed at combating Acinetobacter baumannii, a bacterium identified by the World Health Organization as one of the most perilous antibiotic-resistant pathogens.
Acinetobacter baumannii poses significant challenges in clinical settings, causing severe infections such as pneumonia, meningitis, and wound infections, with limited treatment options available.
“Antibiotics are a critical component of modern medicine, but the emergence of drug resistance necessitates a rapid and cost-effective approach to drug discovery,” explains Jonathan Stokes, lead author of the study and assistant professor in McMaster’s Department of Biomedicine & Biochemistry.
SyntheMol leverages a vast library of molecular fragments, akin to Lego pieces, to generate new molecules with promising antibacterial properties. By cross-referencing these fragments with a set of chemical reactions, researchers identified an astonishing 30 billion two-way combinations, paving the way for the design of potent antibacterial agents.
Each molecule generated by SyntheMol underwent rigorous toxicity prediction through another AI model, ensuring safety and efficacy. Remarkably, six molecules emerged from this process, exhibiting potent antibacterial activity against A. baumannii while maintaining non-toxic properties.
“SyntheMol not only designs novel molecules but also provides the blueprint for their synthesis, a revolutionary approach in drug discovery,” highlights James Zou, co-author of the paper and associate professor of biomedical data science at Stanford University.
This groundbreaking research, funded by the Weston Family Foundation, the Canadian Institutes of Health Research, and Marnix and Mary Heersink, marks a significant leap forward in the quest for new antibiotics. With SyntheMol’s unparalleled ability to rapidly and inexpensively generate promising drug candidates, researchers are poised to address the evolving threat posed by drug-resistant bacteria, ushering in a new era of antibiotic discovery and innovation.
