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(A) Lowest-energy docking poses of balsacone A (magenta), balsacone B (brown), and balsacone C (aqua) with DENV NS2B-NS3 protease (PDB 2M9Q) [24]. The Lys-Arg co-crystallized ligand is shown as a green wire figure. (B) Balsacone B in the active site of DENV NS2B-NS3 protease (PDB 2M9Q) showing key intermolecular contacts, including hydrogen bonding (blue dashed lines) of the ligand with His112 and Ser196.
