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. 2021 Jul 21;136:104671. doi: 10.1016/j.compbiomed.2021.104671

Table 2.

Structures of reference inhibitors and top docked phytochemicals with the active sites of 3CLpro of Coronaviruses.

S/N Compounds Class of compounds Chemical Structure Source Plants
S1 Lopinavir Image 1
S2 Ritonavir Image 2
S3 R30 Image 3
1 Vernolide Sesquiterpene lactones Image 4 Vernonia amygdalina
2 Vernomygdin Sesquiterpene lactones Image 5 Vernonia amygdalina
3 11, 13-dihydrovernodalin Sesquiterpene lactones Image 6 Vernonia amygdalina
4 Chicoric acid Phenolic acids Image 7 Occinum gratissimum
5 Rosmarinic acid Phenolic acids Image 8 Occinum gratissimum
6 Luteolin Flavonoids Image 9 Occinum gratissimum
7 Neoandrographolide Diterpenoid lactone Image 10 Vernonia amygdalina
8 Vernomenin Sesquiterpene Image 11 Vernonia amygdalina
9 myricetin Flavonoids Image 12 Occinum gratissimum
10 Isorhamnetin Flavonoids Image 13 Vernonia amygdalina