Table 4.

Two-dimensional structures and the binding strength of investigated ligands with the SARS CoV-2 protein.

S. No.	Chemical Compound	Chemical structure	Binding affinity (kcal/mol)
01	Caeruleanone A		−11.1
02	2′,4′-Dihydroxy-2″-(1-hydroxy-1-methylethyl) dihydrofuro [2,3-h] flavanone		−10.5
03	Matairesinol		−10.3
04	Vadimezan		−9.6
05	Tangeretin		−9.3
06	Imperatorin		−9.2
07	Nobiletin		−9.2
08	Demethylnobiletin		−9.2
09	2,6-Ditert-butyl-4-(1-hydroxyethyl) phenol		−9.1
10	Zapotin		−9.0
11	Calycosin		−8.7
12	2′-Hydroxy-3,4,4′,6′-tetramethoxychalcone		−8.6
13	Pelubiprofen		−8.5
14	Pterostilbene		−7.7
15	Loliolide		−7.2
16	p-coumaric acid		−6.7
17	3-Phenylpropionic acid		−6.6
18	2- methoxyphenol		−6.5
19	Butylparaben		−6.5
20	cis-p-Coumaric acid		−6.5
21	Cinnamic acid		−6.1
22	4-hydroxybenzoic acid		−6.1
23	3-(1-hydroxyethyl) phenol		−5.7
24	3-methoxyphenol		−5.0