The search for small molecules that induce a certain biological function would be expedited if chemical biologists had a reliable way to predict how a molecule’s features, such as composition and shape, influenced its behavior in a particular assay.
To guide the synthesis of new compounds, Isaac and his Broad colleagues developed an approach to selecting predictive molecular features by comparing structure and performance similarities between different molecules. Using a small screening dataset of pre-adipogenic cell-based assays performed on small molecules with defined structural relationships, the researchers revealed that some features were predictive of performance. The findings demonstrate that the predictive method provides a general strategy for identifying structural features that can modulate biological functions, with implications for basic research and drug discovery.
Performance-guided selection of stereochemical and skeletal features of disaccharides that correlate with activity in adipogenic cell states
Mentor: Paul Clemons, PhD, Chemical Biology Program
Every day I'm amazed by some new facet of the Broad. The cutting-edge research happening in each of the institute’s programs is truly inspiring. Being a part of this community has shown me the excitement of original research. The opportunity has influenced me to choose biological research as a career.