Artificial intelligence may hold the key to mitigating the effects of snake venom. Researchers have successfully used AI to design proteins capable of neutralizing toxins from cobras and other venomous snakes. This groundbreaking approach could pave the way for innovative snakebite treatments. In laboratory tests, these engineered proteins proved effective, saving mice exposed to lethal doses of venom, according to a study published in Nature on January 15.

Michael Hust, an antibody researcher at the Technical University of Braunschweig in Germany who was not involved in the study, praised the results: "[The antivenom] is really doing its job; the mice are surviving; this is what we all want."

This research builds on a breakthrough recognized with the 2024 Nobel Prize in Chemistry. In 2022, medical biotechnologist Timothy Jenkins discovered a preprint from Nobel laureate David Baker’s lab at the University of Washington School of Medicine in Seattle. The paper described AI-designed proteins that strongly bind to specific molecules, prompting Jenkins to ask: Could AI create a design that attaches to and neutralizes snake venom toxins?

Jenkins, from the Technical University of Denmark in Lyngby, had spent years working on new snakebite therapies. Each year, approximately 100,000 people die from snakebites worldwide. Venomous snakes inject a complex mix of toxins, with some of the deadliest molecules—three-finger toxins—capable of paralyzing muscles, stopping the heart, and shutting down respiration.

While antivenoms exist, Jenkins believes the current technology is outdated. “There’s not a lot of money in it, so not a lot of innovation has been attracted,” he explains. Traditional antivenom production involves extracting venom from snakes—a process he likens to “handling a live hand grenade.” A small amount of venom is injected into a large animal, such as a horse, and the resulting antibodies are later harvested. These antibodies, when administered to snakebite victims, bind to venom toxins and neutralize them. However, the process is expensive and time-consuming, prompting scientists to explore alternative solutions.

One recent approach involves screening vast libraries of lab-generated antibodies to identify those that specifically target certain toxins. Now, AI offers a way to design custom proteins from scratch, providing a faster and more cost-effective alternative.

Jenkins teamed up with Baker to develop proteins using a generative AI model called RFdiffusion. This free protein-design tool functions similarly to AI systems that generate images, except instead of creating a picture of the pope in a puffer jacket, it designs proteins tailored to bind to specific target molecules.

Baker’s team had previously trained the model on all known protein structures and their amino acid sequences, which determine how a protein folds into its three-dimensional shape. By computationally breaking down these structures, the AI learned to reconstruct complete proteins—similar to understanding how to assemble a car engine by first taking it apart.

The researchers then tasked the AI with designing proteins that could bind to and neutralize snake venom toxins. Once the AI completed the design process, the team synthesized the proteins in the lab, folding them into their proper three-dimensional shapes.

Testing revealed that these proteins effectively blocked venom toxins from binding to cells, much like placing a magnetic cap over a key, preventing it from fitting into a lock. To confirm their effectiveness, the team conducted an experiment on 20 mice, administering the custom proteins either 15 minutes after a lethal dose of cobra venom or simultaneously with the toxins. All 20 mice survived.

"We were very, very excited about this," Jenkins says, emphasizing how clearly the experiment demonstrated the proteins’ effectiveness.

Despite these promising results, the researchers acknowledge potential risks and challenges ahead. Hust notes the importance of ensuring that these proteins do not cause unintended interactions with human tissues, a critical aspect of the next phase of research.

Jenkins agrees, emphasizing that this study represents just the first step in combating venomous snakebites. “It was primarily about demonstrating that this cutting-edge technology is effective,” he explains. Future investigations will focus on refining these proteins for safe and practical use in humans—a potential game-changer in the field of antivenom development.