Phytochemical analysis, pharmacological screening, and molecular docking studies of fresh and dry Saudi Ocimum...

The volatile oil composition and ethanolic extracts of Ocimum basilicum L. grown in Saudi Arabia were examined, with emphasis on their antioxidant and antifungal properties. GC-MS analysis identified 111 volatile components in fresh basil and 125 in dried basil, representing 98% and 96% of the total essential oil content. Methyl chavicol was the major volatile constituent in the whole plant, including leaves, flowers, and stems, showing higher percentages in fresh samples than in dried ones. Analysis of phenolic compounds in ethanolic extracts showed that rutin was the predominant compound in fresh whole plants. Rosmarinic acid was the main phenolic constituent in fresh flowers, leaves, and stems. In contrast, luteolin was the most abundant phenolic compound in extracts from the entire dried plant. Catechin was the dominant compound in dried flowers, while quercetin prevailed in dried leaves and stems. The ethanolic extracts exhibited stronger antioxidant activity than the essential oils, particularly in scavenging DPPH radicals. In addition, notable antifungal activity was recorded against Penicillium aurantiogriseum. Molecular docking analysis confirmed the experimental results, revealing strong interactions between flavonoids and fungal enzymes related to metabolic pathways and reactive oxygen species production. Quercetin and rutin demonstrated the highest binding affinities. These findings emphasize the potential use of Ocimum basilicum L. as a natural antioxidant, antifungal agent, and flavoring source.