Table 1.

The molecules and their docking proteins, binding energy (kcal/mol).

No.	Molecular name	Targets or inhibition	Reference	Docking (binding energy)
				PLpro	3CLpro	Spike
M1	Betulinic acid	Replication, 3CLpro	[16]	Undo	−4.23	Undo
M2	Coumaroyltyramine	PLpro and 3CLpro	[11], [20]	−3.22	−4.18	Undo
M3	Cryptotanshinone	PLpro and 3CLpro	[18]	−5.25	−6.23	Undo
M4	Desmethoxyreserpine	Replication, 3CLpro, and entry	[6]	Undo	−3.52	Undo
M5	Dihomo-γ-linolenic acid	3CLpro	[7]	Undo	−3.88	Undo
M6	Dihydrotanshinone Ⅰ	Entry, and spike protein	[28]	Undo	Undo	−5.16
M7	Kaempferol	PLpro and 3CLpro	[11]	−2.15	−6.01	Undo
M8	Lignan	Replication, 3CLpro	[16]	Undo	−4.27	Undo
M9	Moupinamide	PLpro	[20]	−3.05	Undo	Undo
M10	N-cis-feruloyltyramine	PLpro and 3CLpro	[11], [20]	−3.11	−4.31	Undo
M11	Quercetin	PLpro and 3CLpro	[20]	−4.62	−6.25	Undo
M12	Sugiol	Replication, 3CLpro	[16]	Undo	−6.04	Undo
M13	Tanshinone IIa	PLpro and 3CLpro	[18]	−5.02	−5.17	Undo

3CLpro: 3C-like protease; PLpro: papain-like protease.