Table 4: The docking score and E model score of the reported compounds.

S. no.LigandGlide score E model score

1Reference−8.288−68.491
21−7.538−80.638
32−5.935−83.181
43−6.903−76.437
55−7.272−80.080
66−6.721−81.342
78−6.725−71.692
810−6.647−76.710
911−6.766−78.595
1012−7.677−56.626
1113−7.702−47.220