Breakthrough BME study on molecular interactions could improve development of new medicines

January 6, 2020—A first-of-its-kind study on molecular interactions by a Department of Biomedical Engineering research team will make it easier and more efficient for scientists to develop new medicines and other therapies for diseases such as cancer, HIV, and autoimmune diseases.

The study resulted in a mathematical framework that simulates the effects of the key parameters that control interactions between molecules that have multiple binding sites, as is the case for many medicines. Researchers plan to use this computational model to develop a web-based app that other researchers can use to speed the development of new therapies for diseases.

The research is published in the Proceedings of the National Academy of Sciences (PNAS). In addition, the NIH did a science highlight on the paper.

BME Prof. Casim Sarkar, post-doctoral researcher Wesley Errington, and Bence Bruncsics, a visiting masters’ student in the Sarkar lab from the Budapest University of Technology and Economics, collaborated on the study.

Share