Table 7.

Main proteinase (3CLpro)Hits.

Dock ID	Compound name	Normal target	Glide Energy	DockScore	LipophilicEvdW	HBond	Electro	ExposPenal	RotPenal
A	XAV-939	Not known; Anti-cancer	−71.17	−12.66	−5.74	−5.98	−1.46	0.37	0.15
B	Crocin	Arthritis	−63.96	−11.56	−3.24	−6.68	−2	0.23	0.14
C	Iopromide	non-ionic X-ray contrast agent	−77.95	−11.07	−5.34	−4.64	−1.63	0.39	0.15
D	Troxerutin	Chronic Venous Insufficiency	−64.53	−10.69	−4.69	−4.29	−1.42	0	0.11
E	Isoquercetin	Anti-cancer	−73.56	−10.31	−4.89	−4.42	−1.71	0.54	0.17
F	Danoprevir	Inhibitor of the HCV NS3/4A protease	−66.83	−10.03	−4.73	−4.01	−1.44	0.04	0.11
G	Cefoperazone	Cephalosporin; antibacterial	−79.52	−7.8	−3.14	−4.22	−1.67	0.7	0.19
H	Nevirapine	Non-nucleoside reverse transcriptase inhibitor (NNRTI)	−63.17	−7.79	−3.31	−3.25	−1.09	0.11	0.14
I	Pentostatin	Adenosine deaminase; anti-cancer	−81.01	−7.12	−3.78	−3.74	−2	2.09	0.19
J	Cladribine	Synthetic purine nucleoside that acts as an antineoplastic agent	−78.93	−6.86	−5.19	−1.48	−1.09	0.85	0.19
K	Bisindolylmaleimide IX	PKC Inhibitor, Potential anti-cancer activity	−56.2	−5.9	−5.1	−0.6	−0.6	0.1	0.3