Jarrod Walsh

TL;DR: The discovery of two diverse lead series imidazo[1,2-a]pyridine ethers and squaramides as inhibitors of mycobacterial ATP synthesis is reported, establishing a robust structure-activity relationship of these two scaffolds, resulting in nanomolar potencies in an ATP synthesis inhibition assay.

TL;DR: The discovery of the first reported inhibitors of USP28 are described, which are able to bind to and inhibit USP 28, and while displaying a dual activity against the closest homologue USP25, these inhibitors show a high degree of selectivity over other deubiquitinases (DUBs).

TL;DR: In this paper, the authors summarize the collective academic, government, and industry experiences regarding cellular nuisance compounds in more complex cell-based assays and suggest best practices to efficiently address these compounds in complex biological settings.

TL;DR: A collaborative high throughput screen of 1.35 million compounds against mutant (R132H) isocitrate dehydrogenase IDH1 led to the identification of a novel series of inhibitors, which guided the optimization of the series yielding submicromolar enzyme inhibitors with promising cellular activity.

TL;DR: A machine‐learning model is developed to predictCIATs for three assay technologies and provides a complementary and wider set of predicted CIATs compared to BSF, a published structure‐independent model, and to the PAINS substructural filters.