Jason R Thomas, Claude Shelton, Jason Murphy, Scott Brittain, Mark-Anthony Bray, Peter Aspesi, John Concannon, Frederick J King, Robert J Ihry, Daniel J Ho, Martin Henault, Andrea Hadjikyriacou, Marilisa Neri, Frederic D Sigoillot, Helen T Pham, Matthew Shum, Louise Barys, Michael D Jones, Eric J Martin, Anke Blechschmidt, Sébastien Rieffel, Thomas J Troxler, Felipa A Mapa, Jeremy L Jenkins, Rishi K Jain, Peter S Kutchukian, Markus Schirle, Steffen Renner
Phenotypic assays have become an established approach to drug discovery. Greater disease relevance is often achieved through cellular models with increased complexity and more detailed readouts, such as gene expression or advanced imaging. However, the intricate nature and cost of these assays impose limitations on their screening capacity, often restricting screens to well-characterized small compound sets such as chemogenomics libraries. Here, we outline a cheminformatics approach to identify a small set of compounds with likely novel mechanisms of action (MoAs), expanding the MoA search space for throughput limited phenotypic assays...
April 2, 2024: ACS Chemical Biology