Skip to main content

Table 1 Dock Scores obtained from Autodock Pyrex of Screened Ligands

From: Virtual screening of phytochemical compounds as potential inhibitors against SARS-CoV-2 infection

Ligand Binding energy
(kcal/mol)
Molecular weight
(g/mol)
Rotatable bonds HB acceptor HB Donar TPSA ( Å2)
Tanshinone I -8.9 276.29 0 3 0 47.28
Ellipticine -8.4 246.31 0 1 1 28.68
Anabsinthin -8.4 496.64 0 6 1 82.06
Camptothecin -8.3 348.35 1 5 1 81.42
Piperolactam A -8.3 265.26 1 3 2 62.32