Rapid discovery of repurposed drugs targeting SARS-CoV-2 spike HR1 by DNA-encoded library screening
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Q Xue, Z Liang, Y Zhang, F Wang, F Wang, L Liu…
Bioorganic …, 2026
Elsevier
The membrane fusion process mediated by the SARS-CoV-2 spike protein is a key therapeutic target. Its heptad repeat 1 (HR1) domain forms a conserved trimeric groove critical for forming the fusion-competent six-helix bundle with HR2. We used DNA-encoded library screening to identify small molecules binding HR1. Hits including Rabeprazole-related compound E (Rab RCE), Omeprazole, Alvimopan, and Olmesartan were characterized. Biophysical assays confirmed binding, while computational simulations …
