Molecular docking

Molecular docking analysis was performed using HPEPDOCK software (http://huanglab.phys.hust.edu.cn/hpepdock/) [³¹]. Antibiotics were docked to the S-protein of SARS-CoV-2 from the Protein Data Bank (https://www.rcsb.org/). Three antibiotics (DAP (PDB: 1xt7), VAN (PDB: 1qd8), and bleomycin (BLE, PDB: 1ugt)) were docked with SARS-CoV-2 viral structural proteins, including the S-protein of SARS-CoV-2 (PDB: 7kj2), S-protein of Alpha variant (B.1.1.7, PDB: 7lwv), S-protein of Beta variant (B.1.351, PDB: 7 lyo), S-protein of Gamma variant (P.1, PDB: 7m8k), S-protein of Delta variant (B.1.617.2, PDB: 7v7q), S-protein of Kappa variant (B.1.617.1, PDB: 7v7e), and S-protein of Omicron variant (B.1.1.529, PDB: 7qo7).