Table 8.

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

S/no	Compounds	Pubchem CID	2QA1		8JZN		5AG7
			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	−6.1	H: 4, π-Alkyl: 2, Unfavourable Donor: 1	−6.6	H: 2, π-π Stacked: 1	−6.3	H: 1, π-π T Shaped: 1, π-Sigma/Alkyl: 1/1
2	Caffeic acid	689043	−6.1	H: 3, π-Alkyl/Sigma: 1/1	−6.5	H: 2, π-Sigma/Anion/Alkyl: 1/1/1	−7.5	H: 1, π-Sigma/Alkyl: 1/3, π-π T Shaped: 2
3	Epicatechin	72276	−8.0	H: 5, Amide-π Stacked: 1, π-π T-Shaped: 1, π-Alkyl: 1	−8.7	H: 3, π-Anion/Cation/Sulfur/Alkyl: 1/1/1/2	−8.1	H: 2, C-H: 1, π-Alkyl: 3
4	Ferulic acid	445858	−5.9	H: 3, C-H: 1, Alkyl: 1	−6.8	H: 3, π-Anion/Sigma: 1/1, Alkyl/π-Alkyl: 1/1	−7.0	H: 1, π-Sigma: 1, π-π T Shaped: 1, Alkyl/π-Alkyl: 4
5	Gallic acid	370	−6.8	H: 5, C-H: 1, π-Alkyl: 2	−6.9	H: 2, π-Sigma/Alkyl/Anion: 1/1/1, Unfavourable Donor: 1	−6.5	H: 5, π-Sigma/Alkyl: 1/1
6	p-coumaric	637542	−6.1	H: 2, π-Alkyl: 3	−6.6	H: 3, π-Sigma/Anion/Alkyl: 1/1/1	−7.6	H: 1, π-Sigma/Alkyl: 2/2, π-π T Shaped: 1
7	Quercetin	5280343	−7.9	H: 4, Unfavourable Acceptor: 1	−8.7	H: 1, π-π T Shaped: 1, π-Sigma/Alkyl: 2/5	−9.2	H: 2, C-H: 1, π-Anion/Sigma/Alkyl: 1/1/3, Unfavourable Donor/Acceptor: 1/1
8	Resveratrol	445154	−7.8	H: 1, π-Alkyl: 2	−7.8	H: 1, π-Alkyl: 4, π-π T Shaped: 1	−9.5	H: 1, π-Sigma: 4, π-π/Stacked/T Shaped: 1/1, π-Alkyl: 3
9	Rosmarinic acid	5281792	−8.1	H: 4, π-Sigma/Alkyl: 1/1, Unfavourable Donor: 1	−8.6	H: 3, π-Sigma/Alkyl: 1/5	−8.3	H: 3, π-π T Shaped: 2, Unfavourable Donor: 1
10	Rutin	5280805	−9.4	H: 1, π-Sigma/Alkyl: 1/1, π-π Stacked: 1, Unfavourable Donor/Acceptor: 1/1	−9.4	H: 5, C-H: 2, π-Anion/Alkyl: 2/2	−9.5	H: 3, C-H: 1, π-Sigma/Alkyl: 1/4, π-π Stacked: 1, Unfavourable Acceptor: 1

2QA1: Squalene epoxidase; 8JZN: 1,3-β-glucan synthase; 5AG7: N-myristoyl transferase; H: hydrogen bond; C-H: carbon-hydrogen bond; π: pi.