Scientists demonstrate AI-designed enzyme for drug synthesis
The new RFD4-Proteina unified generative model for protein design—created by the Institute for Protein Design (IPD) in collaboration with NVIDIA—uses advanced AI to generate entirely new protein sequences and structures, achieving computational design success rates five to 10 times higher than previous models and generating candidates five to 10 times faster.
Researchers from The University of Manchester, led by professor Anthony Green, collaborated with the Institute for Protein Design (IPD) and NVIDIA to utilize the advanced AI model RFD4-Proteina in designing de novo enzymes for the sustainable production of global health drugs. The model's unique ability to consider multiple aspects of protein structure and function simultaneously, refining amino-acid sequences and three-dimensional structures alongside interacting molecules, led to the creation of enzymes capable of catalyzing key reactions involved in drug synthesis.
Of the 67 designs tested, four showed clear activity, with the best enzyme achieving a 79% conversion rate and favoring the required S-enantiomer. This breakthrough demonstrates the potential for computational enzyme design to accelerate the development of new medicines and biocatalysts for various industries.
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