Enzymes are nature’s powerhouses. Found in the cells of all animals, plants, and every other living organism, they accelerate the chemical reactions that trigger thousands of biological functions—from forming neurons to digesting food.

They perform their jobs so selectively and so quickly—millions of times faster than a blink of the eye—that the field of biomimetic chemistry has emerged over the past few decades with the goal of designing artificial enzymes that can mimic the powers of natural enzymes in industrial settings. Artificial enzymes could, for example, convert corn into ethanol or help create new drugs more quickly, cheaply, and effectively.

Moving one step closer to achieving that goal, Rajeev Prabhakar, a computational chemist at the University of Miami, and his collaborators at the University of Michigan have created a novel, synthetic, three-stranded molecule that functions just like a natural metalloenzyme, or an enzyme that contains metal ions.

“It wasn’t clear that they could be made, but we made them. And, then we used them to successfully catalyze reactions,” said Prabhakar, a professor of chemistry who studies enzyme reactions in hopes of designing their artificial analogues. “This is an incremental but important step in the development of artificial enzymes, which has long been considered chemistry’s holy grail. Unfortunately, as good as natural enzymes work in our bodies and other life forms, they don’t tolerate other settings very well. They’re also very expensive and not easy to prepare and purify.”

For their groundbreaking study published in Nature Chemistry this week, Prabhakar and graduate student Vindi M. Jayasinghe-Arachchige joined forces with Vincent L. Pecoraro, a University of Michigan chemistry professor, to improve the performance of the artificial enzymes Pecoraro’s lab pioneered over the years. The Michigan researchers had previously created simpler synthetic metalloenzymes that successfully catalyzed a number of chemical reactions. But those artificial macromolecules were designed with three identical, or symmetrical “homotrimeric” strands, which, Prabhakar said, limited their catalytic abilities.

In the new molecule, which Jayasinghe-Arachchige designed on the University of Miami’s supercomputer with Prabhakar’s guidance, the third strand differs in structure from the other two strands. Her quantum mechanical calculations showed that the more complex, non-symmetrical, three-stranded structure, known as a “heterotrimeric” coil, expanded the catalytic performance of homotrimeric artificial metalloenzymes—a finding that Pecoraro and his team confirmed with experiments in his Michigan lab.