The 2024 Nobel Prize in Chemistry was awarded to researchers who utilized artificial intelligence (AI) to predict proteins, laying the foundation for protein design and opening the era of AI-driven drug development. David Baker, a professor at the University of Washington and a recipient of the Nobel Prize, has successfully neutralized snake venom using a protein designed by AI.
On Thursday, the international journal Nature published a study showcasing the achievement of neutralizing deadly snake toxins using designed proteins.
The study utilized an AI-based generative model called RFdiffusion. This model operates on the principles of diffusion models, commonly used in image generation AI, to create protein structures from random noise.
The resulting designs were refined using an amino acid sequence design AI model (ProteinMPNN), a structure prediction and validation AI model (AlphaFold2), and AI-based protein design screening technology.
The research team targeted neutralizing the 3FTx group of snake toxins. 3FTx is a common toxin in various snake venoms, characterized by finger-like amino acid chains extending from its central structure. Introducing it into the human body is toxic to the nervous system, heart, and muscles.
Traditional snake venom treatments rely on antibodies from injecting small amounts of venom into animals. However, this method has limitations, including difficulties in mass production and the reduced or evasive immune response of certain 3FTx toxins, which make antibody generation challenging.
Scientists have been exploring designing and producing specialized neutralizing proteins to overcome these challenges.
Using AI-designed molecules, the research team conducted toxicity-neutralizing experiments on mice. The results showed survival rates of 80–100%. According to the researchers, the designed proteins are small, enabling them to penetrate tissues effectively and provide faster neutralization.
Moreover, once the design for these neutralizing proteins is finalized, it could lead to large-scale production using genetically modified microorganisms.
Baker emphasized that repeated lab experiments were unnecessary to find antitoxins. He highlighted that this approach could simplify drug discovery in resource-limited settings beyond treating snakebites. Reducing drug development costs could contribute to a future where everyone has access to treatment.