Researchers in Korea proposed a method to predict drug inhibition effects in a single experiment when developing new drugs. Drug inhibition refers to the phenomenon where one drug suppresses the action of a specific enzyme, affecting other drugs.
The Korea Advanced Institute of Science and Technology (KAIST) announced on the 15th that a joint research team led by Professor Kim Jae-kyung from the Department of Mathematical Sciences and Professor Kim Sang-gyeom from Chungnam National University’s College of Pharmacy devised a method to estimate the enzyme inhibition constant from a single experiment. The study was published in the international journal 'Nature Communications' on the 5th.
The enzyme inhibition constant is an indicator used to analyze interactions that occur when enzymes and drugs, or drugs and drugs, are combined. It is used to predict drug inhibitory effects. Until now, the enzyme inhibition constant has been estimated by changing the inhibitor concentration multiple times. This approach has been followed in over 60,000 studies, but there were limitations due to differences in estimates.
The research team proposed a method to accurately estimate the inhibition constant using a single concentration approach. They utilized error landscapes, which show how much error exists in the combinations of parameters. They also eliminated inhibitor concentrations that did not contribute to accuracy, reducing the number of repeated experiments. As a result, the accuracy improved and the experimental efficiency increased by 75% compared to the previous method.
Professor Kim Sang-gyeom said, "This fundamentally reexamines decades of standardized drug experiment designs," adding, "It could improve the accuracy of predicting efficacy and side effects." Professor Kim Jae-kyung noted, "The mathematical approach shows how to innovate experimental designs in life sciences."
References
Nature Communications (2025), DOI: doi.org/10.1038/s41467-025-60468-z