Table 2. Virtual screening and docking output of the top fourteen compounds.

Title	Docking score	Glide ligand efficiency	Glide lipo	Glide hbond	Glide evdw	Glide ecoul	Glide energy	MMGBSA _dG_Bind
Rutin	−11.78	−0.27	−2.62	−0.16	−47.64	−27.84	−75.49	−88.91
(-)-Epigallocatechin	−11.57	−0.35	−2.91	−0.65	−34.90	−24.05	−58.95	−70.18
Sennoside A	−10.77	−0.17	−2.13	−0.14	−39.11	−18.62	−57.73	−61.40
asinex8472	−9.83	−0.32	−2.83	−1.23	−38.99	−11.59	−50.58	−64.51
Atazanavir	−9.81	−0.34	−3.11	−1.28	−37.43	−13.69	−51.11	−74.66
asinex8485	−9.78	−0.33	−2.69	−1.33	−42.63	−11.63	−54.25	−73.40
asinex6886	−9.71	−0.30	−3.50	−0.84	−45.42	−8.69	−54.11	−56.67
Alpha-Mangostin	−9.14	−0.31	−3.68	−0.83	−42.12	−8.79	−50.91	−93.46
Glycitin	−8.83	−0.28	−2.96	−0.32	−32.44	−15.39	−47.83	−77.38
Birinapant	−8.81	−0.15	−3.67	−0.46	−60.32	−14.06	−74.38	−106.64
F2583-0433	−8.80	−0.29	−2.97	−1.20	−42.87	−17.08	−59.95	−89.30
F3234-0818	−8.65	−0.30	−3.03	−0.90	−43.91	−12.30	−56.20	−72.79
Lopinavir	−8.68	−0.15	−4.90	−0.16	−61.64	−7.72	−69.36	−84.25
Cobicistat	−8.55	−0.10	−4.48	−0.26	−54.69	−14.25	−68.94	−82.33