ArticleJournal of medicinal chemistry2026
Structure-Guided Design of Proteomimetics Targeting the SARS-CoV-2 S-RBD/hACE2 Interface.
Article in Journal of medicinal chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The SARS-CoV-2 Spike receptor-binding domain (S-RBD)/hACE2 interaction represents a challenging protein-protein interaction (PPI) target due to its large, shallow binding interface. Here, in silico alanine mutagenesis guided the structure-based design of constrained peptidomimetics that reproduce key hACE2 recognition elements. α1-helix-derived mimetics (Glu23-Ser44) were stabilized using peptide stapling strategies, while antiparallel β-sheet mimetics (Thr347-Leu359) were generated through head-to-tail macrocyclization incorporating a d-Pro/l-Pro motif. Covalent linkage of these two secondary structure mimetics yielded proteomimetic
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