Table 3: Glide scores and induced fit scores of the short listed molecules for flexible docking and binding affinity analysis.

Mol. numberGlide scoreIFD score

1−10.5−762.72
2−10.43−762.29
3−10.24−766.93
4−9.65−768.15
5−9.25−761.87
6−8.99−760.97
7−8.46−764.92
8−7.61−767.01
9−6.68−757.47
10−6.65−763.28