MIT researchers made a significant breakthrough in the fight against drug-resistant bacteria. They did it using artificial intelligence (AI). Using advanced technologies, the team designed novel antibiotics capable of battling two stubborn infections. The novel drug reportedly stands up against the drug-resistant Neisseria gonorrhoeae and multi-drug-resistant Staphylococcus aureus (MRSA).
Developing Novel Drugs For Resistant Diseases
According to the researchers, they created over 36 million theoretical compounds using generative AI algorithms. Then, the compounds were computationally screened for antimicrobial properties.
The most promising candidates discovered were structurally distinct from any existing antibiotics. They appear to disrupt bacterial cell membranes through novel mechanisms. This approach allowed the team to explore a vast and previously inaccessible “chemical space,” generating and evaluating compounds that had not existed before.
Explore Tomorrow's World From Your Inbox
Get the latest science, technology, and sustainability content delivered to your inbox.
I understand that by providing my email address, I agree to receive emails from Tomorrow's World Today. I understand that I may opt out of receiving such communications at any time.
“We’re excited about the new possibilities that this project opens up for antibiotics development,” said James Collins, the Termeer Professor of Medical Engineering and Science at MIT. “Our work shows the power of AI from a drug design standpoint, and enables us to exploit much larger chemical spaces that were previously inaccessible.”
The team’s research, published in the journal Cell, describes two main approaches. They used a unique fragment-based design for one strategy to create a compound they named NG1. This compound was reportedly very effective at killing N. gonorrhoeae. The researchers’ goal was to find molecules fundamentally different from existing drugs, a crucial step in tackling the growing antibiotic resistance crisis.
Lead author Aarti Krishnan said, “By venturing into underexplored areas of chemical space, our goal was to uncover novel mechanisms of action.”
For the second, more open-ended approach, the researchers gave the AI free rein to design molecules to fight the bacteria S. aureus. This effort reportedly led to the discovery of a top candidate called DN1, which successfully cleared a MRSA skin infection in a mouse model. Both NG1 and DN1 reportedly work by attacking and breaking down the bacteria’s outer layer, a new and promising way to fight infection.
The researchers now hope to use this platform on other dangerous pathogens, offering new hope in a critical public health crisis.
