Table 1 List of target proteins, PDB IDs, active site coordinates, native ligands, and references.

From: Phytochemical profiling, antiviral activities, molecular docking, and dynamic simulations of selected Ruellia species extracts

No

Protein targets

PDB ID

Resolution Å

Active site coordinates

Reference ligands

References

X

Y

Z

1

Human Adenovirus type 40

4PIE

1.94 Å

60.4

5.24

2.54

3FO

40

2

Human Herpes simplex virus 2

1AT3

2.50 Å

20.33

2.54

8.22

DFP

41

3

Influenza virus (H1N1)

3B7E

1.45 Å

5.60

35.66

-11.18

ZMR

42

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