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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