|COOKIES: By using this website you agree that we can place Google Analytics Cookies on your device for performance monitoring.|
University of Cambridge > Talks.cam > Experimental and Computational Aspects of Structural Biology and Applications to Drug Discovery > AnchorQuery: Interactive and efficient discovery tool of small molecule protein-protein interaction antagonists
AnchorQuery: Interactive and efficient discovery tool of small molecule protein-protein interaction antagonists
If you have a question about this talk, please contact xyp20.
Although there is no shortage of potential drug targets, there are only a handful known low molecular weight inhibitors of protein-protein interactions (PPIs). One problem is that current efforts are dominated by low-yield high-throughput screening, whose rigid framework is not suitable for the diverse chemotypes present in PPIs. Here, we developed a novel pharmacophore-based interactive screening technology that builds on the role anchor residues, or deeply buried hot spots, have in PPIs, and redesigns these entry points with anchor-biased virtual multicomponent reactions, delivering tens of millions of readily synthesizable novel compounds. Application of this approach to the MDM2 /p53 cancer target led to high hit rates, resulting in a large and diverse set of confirmed inhibitors. Our unique open-access technology promises to both expand chemical space and develop new probes to study protein function by leveraging in-house small-scale assays and user-friendly chemistry to rationally design ligands for PPIs with known structure.
This talk is part of the Experimental and Computational Aspects of Structural Biology and Applications to Drug Discovery series.
This talk is included in these lists:
Note that ex-directory lists are not shown.
Other listsHumanitas and General Science Assessment Principles Correlated quantum systems discussion group
Other talksA feast of languages: multilingualism in neuro-typical and atypical populations Architecture for Resilience - surviving earthquakes, tornadoes, fire and floods. Group Discussions (Isaac Newton Institute & Centre for Mathematical Sciences) Genetic Investigations of Progressive Retinal Atrophy in Multiple Breeds of Dog Mapping regulatory variation in human cells DataSHIELD: taking the analysis to the data not the data to the analysis