Newswise — Protein kinase research presents an opportunity to explore molecular targets in the body to treat diseases like cancer and autoimmune disorders. These enzymes have the potential to bind to cellular sites and inhibit dysfunctional behavior, such as the overproduction of cancerous cells and tumor formation. With the vast combination of possible kinase and cell structures, scientists are turning to Artificial Intelligence (AI) in order to predict and create a model of which pairing could have a therapeutic effect.
In order to develop a tool to predict these kinase interactions for further study, a team of researchers have developed KinasePred, and published the details of their project in the International Journal of Molecular Sciences (IJMS).
The authors include researchers collaborating with the Sbarro Health Research Organization (SHRO), under the direction of Antonio Giordano, M.D., Ph.D., Professor at Temple University, with scientists from the University of Pisa, and other research organizations in Italy. This AI-based workflow is able to predict kinase activity, to gain insights into molecular target interactions and identify combinations with the potential to treat cancer.
The study, led by Dr. Miriana de Stefano, Department of Pharmacy, University of Pisa, presents an advanced computational tool designed to strengthen the prediction of kinase interactions with small molecules. KinasePred is an example of a data-dependent computational tool developed to solve a particular problem, selection of kinase inhibitors. This is achieved by applying a predictive model which uses the molecular basis of binding and selectivity of kinases.
KinasePred uses Machine Learning (ML) and AI to make accurate predictions as well as explain the molecular characteristics that facilitate the interactions. The researchers hope the tool will lead to more accurate predictions using new representations of the molecules and different machine learning methods, and provide a more comprehensive knowledge of kinase interactions. These advancements are critical to identify and minimize off-target effects, ultimately enhancing the safety and selectivity of therapeutic agents.
About the Sbarro Health Research Organization
The Sbarro Health Research Organization (SHRO) is non-profit charity committed to funding excellence in basic genetic research to cure and diagnose cancer, cardiovascular diseases, diabetes and other chronic illnesses and to foster the training of young doctors in a spirit of professionalism and humanism. To learn more about the SHRO please visit www.shro.org.
