Table 3.

Docking energy scores (S) in kcal/mol for the target compounds and the co-crystalized compound (YD1) in M^pro active site (PDB ID: 7LTJ).

Compound	Energy score (S) kcal/mol	IC50 (μM)
11a	−11.60	104
11b	−11.58	79.7
11c	−11.92	79.2
12a	−11.98	173.6
12b	−11.96	531.3
12c	−12.39	530.4
17a	−11.38	317.5
17b	−12.16	126.7
17c	−12.99	121.1
17d	−11.54	258.8
17e	−11.37	457.8
17f	−11.98	74.3
17g	−12.45	21.4
18a	−11.47	140.2
18b	−13.36	113.7
18c	−13.99	38.45
18d	−11.97	107
18e	−11.78	459.8
18f	−12.07	26.4
18g	−13.18	93.4
YD1	−13.26	4.2 [36]