Table 2.

Six FDA approved drugs which show stable binding with RBD. Drugs are listed according to their average MM-GBSA scores. 10 frames from the last 50ns of trajectories were considered for the calculation of average MM-GBSA interaction energy.

Drug bank ID	Generic name	Best Receptor ID	XP score kcal/mol	MM-GBSA (After Docking) kcal/mol	MM-GBSA (Simulation) kcal/mol
DB00644	Gonadorelin	1	−9.4	−53.1	−68.2 ± 7.8
DB00569	Fondaparinux	3	−8.5	−32.0	−63.2 ± 11.4
DB01076	Atorvastatin	2	−7.3	−39.1	−56.1 ± 3.1
DB03147	FAD	1	−10.6	−54.3	−49.7 ± 7.7
DB08818	Hyaluronic acid	2	−10.5	−40.9	−44.4 ± 4.6
DB06813	Pralatrexate	1	−8.02	−37.9	−37.6 ± 4.6