Ontology highlight
ABSTRACT:
SUBMITTER: Wood SD
PROVIDER: S-EPMC5733266 | biostudies-literature | 2017 Dec
REPOSITORIES: biostudies-literature
Wood Spencer D SD Grant Wayne W Adrados Isabel I Choi Jun Yong JY Alburger James M JM Duckett Derek R DR Roush William R WR
ACS medicinal chemistry letters 20171122 12
We present the outcome of an <i>in silico</i> high throughput screen (HTS) and optimization of a small molecule Unc-51-Like Kinase 1 (ULK1) inhibitor hit, <b>SR-17398</b>, with an indazole core. Docking studies guided design efforts that led to inhibitors with increased activity vs ULK1 (IC<sub>50</sub> < 50 nM). The most advanced molecules in this inhibitor series (<b>3a</b> and <b>3g</b>) hold promise for further development into selective ULK1 molecular probes to interrogate the biology of UL ...[more]