Identification of non-charged 7.44 analogs interacting with the NHR2 domain of RUNX1-ETO with improved antiproliferative effect in RUNX-ETO positive cells

Ligand-based virtual screening

To establish a SAR, we performed a ligand-based virtual screening to identify structural analogs of 7.44 using FastROCS (Fig. 1)²¹. FastROCS is an extremely fast shape comparison application, based on the idea that…