- [1,2,4]triazol-3-ylsulfanylmethyl)-3-phenyl-[1,2,4]oxadiazoles: antagonists of the Wnt pathway that inhibit tankyrases 1 and 2 via novel adenosine pocket bindingMichael D Shultz
Novartis Institutes for BioMedical Research, Inc, Cambridge, Massachusetts 02319, United States
J Med Chem 55:1127-36. 2012..Furthermore, a cocrystal structure of compound 24 complexed to TNKS1 demonstrates an alternate binding mode for PARP family member proteins that does not involve interactions with the nicotinamide binding pocket...
- Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitorsMichael D Shultz
Novartis Institutes for BioMedical Research, Inc, Cambridge, Massachusetts 02139, United States
J Med Chem 54:4752-72. 2011..Using a hERG homology model, two compounds, 11r and 25i, were discovered to be highly efficacious with weak affinity for the hERG and other ion channels...
- The design, synthesis and structure-activity relationships of novel isoindoline-based histone deacetylase inhibitorsMichael Shultz
Novartis Institutes for BioMedical Research, Inc, 250 Massachusetts Avenue, Cambridge, MA 02139, USA
Bioorg Med Chem Lett 21:4909-12. 2011..The in vitro safety profiles of selected compounds were assessed and shown to be suitable for further lead optimization...
- Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939Christina A Kirby
Novartis Institute for Biomedical Research, Cambridge, MA 02139, USA
Acta Crystallogr Sect F Struct Biol Cryst Commun 68:115-8. 2012..The TNKS1-PJ34 crystallization system was used to determine the structure of TNKS1 in complex with XAV939. These structures provide a basis for the start of a structure-based drug-design campaign for TNKS1...