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UORSY PPI Modulators

Modulating protein-protein interactions (PPIs) has been considered as an important goal for drug discovery because of their role in numerous cell disorders.¹ PPIs, however, are both highly promising and highly difficult to study.² Much of the success in finding “hidden gems” – small molecule modulators of PPIs, – relies on the quality of the starting library. Understanding this, we created a set of PPIs modulators utilizing the following approaches:

• physicochemical criteria (“Rule of 4” for inhibitors of PPIs);
• the “hot spot” paradigm (design included functional groups able to interact with Tyr, Trp, Arg residues);³
• ligand-based design (similarity analysis to TIMBAL database).⁴

Figure 1. Physicochemical profiles of UORSY PPI modulators.

Physicochemical profiles of UORSY PPI modulators:

400<MW<600; 2<HbA<10; 0<HbD<4; 2<logP<6; 1≤RotBonds≤12; TPSA>50.

UORSY PPI modulators are available in stock and could be delivered within 2 weeks in any customer-preferred format: as powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates. All compounds have a minimum purity of 90% assessed by ¹H NMR; analytical data is provided.

For more information, please contact us at screenlibs@uorsy.com

¹Morelli, X.; Hupp, T., EMBO Rep. 2012, 13, 877–879.
²Surade, S.; Blundell, T. L., Chemistry and Biology, 2012, 19, 42–50.
³Wells, J. A.; McClendon, C. L., Nature 2007, 450, 1001–1009.
⁴Higueruelo, A. P.; Jubb, H.; Blundell, T. L., Database (Oxford). 2013, 2013, bat039.