“…AutoDock Vina [29] was used for molecular docking. There are eight kinds of proteins involved in docking, namely SARS-RBD-hACE2 (PDB ID: 2AJF ) [30] , SARS-CoV-2-RBD-hACE2 (PDB ID: 6VW1 ) [31] , and Alpha (B.1.1.7), Beta (B.1.351) and Delta (B.1.617) completed in 2.3.1, and M Pro (PDB ID: 6LU7 ) [3] , NRPI (PDB ID: 6FMC ) [32] , PNF1 (PDB ID: 3NUL ) [33] from the RCSB protein database. Small-molecule ligands of forsythoside A (CID: 5281773), forsythoside E (CID: 69634125), veklury (CID: 121304016), chlorogenic acid (CID: 1794427), phillyrin (CID: 101712), umifenovir (CID: 131411), and hydroxychloroquine (CID: 12947) were obtained from NCBI database ( http://www.ncbi.nlm.nih.gov/pccompound ).…”