Table 5 Summary of the glide Gscores (Kcal/mol) based on targeted oxidant or microbial protein and the bioactive compound of the Fig paste extracts (Former nomenclature was adopted for the chemical compounds).
From: Nutritional value antioxidant strength and antimicrobial efficacy of fig pastes from eastern morocco
Antioxidant activity | Antibacterial activity | Antifungal activity | ||
|---|---|---|---|---|
Bioactive compounds of the fig paste extracts | NADPH oxidase (PDB: 2CDU) | Escherichia coli (PDB: 1FJ4) | Staphylococcus aureus (PDB: 3Q8U) | Candida albicans (PDB: 5FSA) |
3,4-Dicaffeoylquinic acid | −6.249 | −5.192 | −8.662 | −6.1 |
neochlorogenic acid | −5.961 | −7.357 | −10.493 | −6.991 |
Ascorbic acid | −5.231 | −5.724 | −9.135 | −4.937 |
Caffeic acid | −5.484 | −6.424 | −7.938 | −5.398 |
Catechin | −5.550 | −6.453 | −6.796 | −7.638 |
Chlorogenic acid | −4.812 | −6.126 | −9.592 | −7.097 |
Gallic acid | −5.878 | −6.755 | −10.050 | −5.636 |
Naringin | −5.163 | *** | −4.674 | −5.573 |
Quercetin 3’-methyl ether | −6.307 | −5.734 | −7.388 | −7.07 |
Rutin hydrate | −5.979 | −4.837 | −7.817 | −6.245 |
Salicylic acid | −5.469 | −6.872 | −9.601 | −5.645 |
Trans-cinnamic acid | −4.637 | −5.519 | −7.053 | −4.322 |
