Discovery of two novel small-molecule series with potent SARS-CoV-2 inhibition via putative nsp13 open-state trapping
The phenoxypropanol (PP) and bipiperidine (BPP) series stood out as the most promising SARS-CoV-2 antivirals, with integrated analysis of structure–activity relationships, physicochemical parameters, metabolic stability, and interdomain dynamics delineated structural optimization paths for both series.