A University of Idaho research team is pioneering the use of computer molecular modeling to develop new agricultural fungicides, including some that will attack crop pathogens in novel ways.
The approach is akin to methods used in designing pharmaceuticals for human health — developing fungicides by conducting experiments, running computer simulations and combining chemicals to form new compounds.
The U of I team includes seven scientists from the College of Agricultural and Life Sciences (CALS), the College of Science (SCI) and the College of Engineering, focusing initially on developing fungicides for potato production.
They’ve identified several compounds proven to be highly effective against major potato fungal diseases and expect their collaboration to yield new fungicides that U of I will license for chemical companies to produce.
I think the bigger picture is this system is adaptable to all pathogen groups in some fashion. This could be expanded past the fungi once the system is in place.
Brenda Schroeder
Associate research professor, Department of Entomology, Plant Pathology and Nematology
“We’ve had a high success rate. We’ve screened fewer than 60 compounds and already have 15 that have some action,” said Brenda Schroeder, a CALS researcher with the Department of Entomology, Plant Pathology and Nematology. “Looking at the bigger picture, this approach is adaptable to all pathogen groups in some fashion. This could be expanded past the fungi once the system is in place.”
New modes of action
A key strength of the project is the discovery of compounds belonging to entirely new fungicide classes with unique modes of action — targeting specific aspects of fungal biology to inhibit pathogen growth.
There are 17 fungicide groups. Overusing products from a single group without rotating modes of action can lead to chemically resistant fungi.
“When resistance pops up, there are not a whole lot of options out there,” said Marty Ytreberg, a professor with the Department of Physics and director of the Institute for Modeling Collaboration and Innovation.
The researchers are developing compounds that target fungal proteins unused in existing fungicides, seeking to provide growers with new modes of action. Of those screened, Ytreberg anticipates three to five will eventually be commercialized, and two to three new fungicide groups will be introduced to the market.
Building a protein catalog
The team prioritized targeting fungal proteins distinct from those in plants and animals to avoid unintended impacts on crops, human health or the environment.
“We’ve really only targeted a minimal number of proteins that we’ve identified in fungi as important,” said Schroeder, whose lab tests the compounds in greenhouse potato production to ensure spud growth isn’t hindered. “We have a large number of proteins that we’ve identified as important that we could potentially target, so this is just building the foundation.”
The team has identified 80 additional compounds that look promising based on modeling and await lab testing.
Once products are proven effective, Ytreberg, Jagdish Patel, with the Department of Chemical and Biological Engineering, and Kristopher Waynant, with the Department of Chemistry, explore chemical modifications to further improve the potential fungicide’s performance. Then, Schroeder and Department of Biological Sciences faculty Klas Udekwu and Paul Rowley evaluate them yet again in trials, and Bernards investigates application techniques.
A major challenge is the lack of complete genomic sequences for most commercial crops. Genomic sequencing — deciphering an organism’s DNA to reveal genetic information essential for biological functions — is critical for identifying target proteins for pesticide development.
“There are big pieces missing in the agricultural data, and when you move from potatoes to corn to wheat to onions, all of those hosts have very different genomes,” Schroeder said.
Playing to their strengths
About three years ago, Ytreberg and Rowley began recruiting U of I researchers interested in drug design. After struggling to find funding for the work, they pivoted and played to U of I’s strength in agricultural science as a land-grant university.
“We put two and two together and said, ‘Wait a minute. What are we missing for conducting human research with antifungals? Well, a hospital,’” Rowley said. “Then we came to the realization that we have farm field trials. We have people doing all sorts of great work in agriculture. We have the complete package there.”
They recruited Schroeder her expertise in fungal pathology and agriculture.
They’ve positioned themselves as trailblazers in crop protectant development. While major agricultural-chemical companies use computer molecular modeling to refine products, U of I researchers aren’t aware of anyone else applying their strategy to develop compounds.
“This is completely unique in the ag world,” Waynant said. “At least for now, we’re the only ones doing it.”
Helping potato farmers
The researchers first targeted four major potato diseases — late blight, Verticillium wilt, Fusarium dry rot and Pythium leak.
They launched the project with a one-year, $100,000 IGEM grant from the state’s Higher Education Research Council and, in fall 2025, secured a two-year, $120,000 Specialty Crop Block Grant (SCBG) from U.S. Department of Agriculture’s Agricultural Marketing Service, administered by the Idaho State Department of Agriculture.
The team will use SCBG funding to screen compounds against early blight, black dot, silver scurf, Rhizoctonia, pink rot and powdery scab — diseases for which growers currently have few control options.
Royalties from licensed products are expected to be substantial, with the team estimating at least $60,000 annually per fungicide for U of I.