Health
Generative AI develops potential new drugs against antibiotic-resistant bacteria | News Center
“We now have not only completely new molecules, but also clear instructions on how to make those molecules,” Zou said.
new chemical space
The researchers selected the 70 compounds most likely to kill bacteria and worked with a Ukrainian chemical company. Enamine synthesize them. The company was able to efficiently produce 58 of these compounds, and when the researchers tested them in the lab, six of them showed resistance in A. baumannii. The stock died. These new compounds also showed antibacterial activity against other types of infectious bacteria that are prone to antibiotic resistance, including Escherichia coli, Klebsiella pneumoniae, and MRSA.
The other four were not soluble in water, allowing the scientists to further test two of the six compounds for toxicity in mice. The two people they tested seemed safe. The next step is to test the drug on mice infected with A. baumannii to see if it is effective in vivo, Zou said.
The six compounds are significantly different from each other and from existing antibiotics. Researchers say they don't know how their antibacterial properties work at the molecular level, but studying their details could yield general principles relevant to the development of other antibiotics. be.
“This AI is actually designing and teaching us about completely new parts of chemical space that humans have never explored before,” Zou said.
Zou and Swanson are improving SyntheMol and expanding its reach. They are collaborating with other research groups to use the model in drug discovery for heart disease and to create new fluorescent molecules for laboratory research.
This research was funded by the Weston Family Foundation, the David Braley Center for Antibiotic Discovery, the Canadian Institutes of Health Research, M. and M. Hersink, the Chan Zuckerberg Biohub, and the Knight-Hennessy Scholarship.
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