Table 7.

Binding energy interaction between the identified compounds and bacterial protein targets.

S/no	Compounds	Pubchem CID	1JII		1G27		3LPX
			Binding Energy (kcal/mol)	Number of Bond Interactions	Binding Energy (kcal/mol)	Number of Bond Interactions	Binding Energy (kcal/mol)	Number of Bond Interactions
1	β-resorcylic acid	1491	−6.7	H: 1, π-H: 1 Unfavourable Acceptor: 1	−5.8	H: 3, π-π Stacked: 1, π-Sigma/Alkyl: 1/1	−5.9	H: 3, π-π T-Shaped: 1, Unfavourable Donor: 1
2	Caffeic acid	689043	−7.0	H: 5, π-Alkyl: 1	−6.3	H: 3, π-Sigma: 2, Unfavourable Acceptor: 1	−6.2	H: 5, π-Sulfur/Alkyl: 1/1
3	Epicatechin	72276	−8.3	H: 2, C-H: 1, Unfavourable Donor/π anion: 1	−7.8	H: 4, π-π Stacked: 1, π-Alkyl: 1, Unfavourable Acceptor: 1	−7.5	H: 4, π-Sulfur/Alkyl: 1/1
4	Ferulic acid	445858	−6.5	C-H: 2, Alkyl: 1, Amide-π: 1	−6.2	H: 5, π-Sigma: 1	−6.0	H: 3, C-H: 1, π-Sulfur/Alkyl: 1/1
5	Gallic acid	370	−7.2	H: 7, Amide π-Stacked: 1	−5.9	H: 3, π-H/Sigma: 1/1, Unfavourable Acceptor: 1	−6.1	H: 2, π-π T-Shaped: 1, π-Alkyl: 1
6	p-coumaric	637542	−6.2	H:2, C-H: 1, π-Alkyl:1	−5.9	H: 3, C-H: 1, π-Sigma: 1	−6.0	H: 2
7	Quercetin	5280343	−9.6	H: 3, π-Anion: 1, Unfavourable Donor: 2	−7.5	H: 1, C-H: 1, Π-Anion/Alkyl/Sigma: 1/2/1, π-π Stacked: 1, Unfavourable Donor: 1	−7.9	H: 4, C-H: 2, π-Sulfur/Sigma/Alkyl: 1/2/1
8	Resveratrol	445154	−8.2	H: 5, π-anion/alkyl: 2, Unfavourable Donor: 1	−6.5	H: 1, π-Anion:1, π-π-Stacked: 1, π-Sigma/Alkyl: 1/1	−7.4	H: 2, π-π T Shaped: 1, π-Sulfur/Alkyl: 1/1, Unfavourable Donor: 1
9	Rosmarinic acid	5281792	−8.0	H: 4, π-Anion: 1	−8.2	H: 7, π-π Stacked: 1, Π-Sigma/Alkyl: 1/1	−7.6	H: 6, C-H: 1, Π-Π T-Shaped: 1, Π-Alkyl: 3
10	Rutin	5280805	−9.7	H: 6, C-H: 1, π-H: 3, π-Anion/Alkyl: 1/1, Unfavourable Donor: 1	−8.3	van der Waals: 1, H: 6, Amide-π: 1, π -Alkyl: 2, Unfavourable Donor: 1	−9.0	H: 6, π-π T Shaped: 1, π-Alkyl: 2, Unfavourable Donor: 1

1JII: Tyrosyl-tRNA synthetase; IG27: Peptide deformylase; 3LPX: DNA gyrase; H: hydrogen bond; C-H: carbon-hydrogen bond; π: pi.