KAIST

A groundbreaking new method developed by researchers at KAIST and Chungnam National University could drastically streamline drug interaction testing — replacing dozens of traditional experiments with just one.

The research, led by Professor Jae Kyoung Kim of KAIST Department of Mathematical Sciences & IBS Biomedical Mathematics Group and Professor Sang Kyum Kim of Chungnam National University's College of Pharmacy, introduces a novel analysis technique called 50-BOA, published in Nature Communications on June 5, 2025.

< Photo 1. (From left) Professor Sang Kyum Kim (Chungnam National University College of Pharmacy, co-corresponding author), Dr. Yun Min Song (IBS Biomedical Mathematics Group, formerly KAIST Department of Mathematical Sciences, co-first author), undergraduate student Hyeong Jun Jang (KAIST, co-first author), Professor Jae Kyoung Kim (KAIST and IBS Biomedical Mathematics Group, co-corresponding author) (Top left in the bubble) Professor Hwi-yeol Yun (Chungnam National University College of Pharmacy, co-author) >

For decades, scientists have had to repeat drug inhibition experiments across a wide range of concentrations to estimate inhibition constants — a process seen in over 60,000 scientific publications. But the KAIST-led team discovered that a single, well-chosen inhibitor concentration can yield even more accurate results.

< Figure 1. Graphical summary of 50-BOA. 50-BOA improves the accuracy and efficiency of inhibition constant estimation by using only a single inhibitor concentration instead of the traditionally used method of employing multiple inhibitor concentrations. >

“This approach challenges long-standing assumptions in experimental pharmacology,” says Prof. Kim. “It shows how mathematics can fundamentally redesign life science experiments.”

By mathematically analyzing the sources of error in conventional methods, the team found that over half the data typically collected adds no value or even skews results. Their new method not only cuts experimental effort by over 75%, but also enhances reproducibility and accuracy.

To help researchers adopt the method quickly, the team developed a user-friendly tool that takes simple Excel files as input, now freely available on GitHub:

☞  https://github.com/Mathbiomed/50-BOA

< Figure 2. The MATLAB and R package of 50-BOA at GitHub >

The work holds promise for faster and more reliable drug development, especially in assessing potential interactions in combination therapies. The U.S. FDA already emphasizes the importance of accurate enzyme inhibition assessment during early-stage drug evaluation — and this method could soon become a new gold standard.