Comprehensive phytochemical and antioxidant evaluation of Salvia officinalis via in vitro and in silico analyses, ADME prediction

Z. Benouadah; I. Krache; N. Boussoualim; A. Sayed-Khan

doi:10.15421/0225173

Z. Benouadah Mohamed El Bachir El Ibrahimi University
I. Krache University Ferhat Abbas of Setif 1
N. Boussoualim University Ferhat Abbas of Setif 1
A. Sayed-Khan University of Burgundy

Keywords: Salvia officinalis, phenolics, antioxidant activity, phytochemical, molecular docking.

Abstract

Currently, there is considerable interest in traditional medicine and herbal treatments. Salvia officinalis L., commonly known as sage, is a Mediterranean plant and classified under the family Lamiaceae. It is an important medicinal plant utilized for diverse therapeutic applications. The aim of this work was to investigate the phenolic profile and to evaluate the antioxidant activity of aqueous and methanolic extracts of S. officinalis . Phytochemical screening revealed the presence of tannins, terpenoids, alkaloids, coumarins, and saponosides in both solvent extracts. The phenolic content was determined by using the Folin–Ciocalteu phenol reagent, and the flavonoid content was determined by the aluminum chloride colorimetric method. The outcome showed that the aqueous extract had a higher total phenol content (55.06 ± 0.03 mg GAE/g extract) compared to the methanol extract (46.51 ± 0.02 mg GAE/g extract). On the other hand, the methanol e x tract had a higher flavonoid content (20.70 ± 0.13 mg QAE/g extract) compared to the aqueous extract (12.12 ± 0.01 mg QAE/g extract). Furthermore, the methanol extract also exhibited significantly higher antioxidant activity (12.31 ± 0.58 µg/mL) compared to the aqueous extract (23.48 ± 2.52 µg/mL). Therefore, the obtained results indicate that S. officinalis represents a valuable source of natural antioxidants. The molecular docking analysis showed that the phenolic compounds of Salvia officinalis interact differently with the main antioxidant enzymes: catalase (2CAG), glutathione peroxidase (2P31), and superoxide dismutase (1CB4). Salvianolic acid exhibited the highest affinity toward catalase (ΔG = –10.9 kcal/mol), followed by cirsimaritin and kaempferol (ΔG = –10.2 kcal/mol). Rosmarinic acid and salvianolic acid effectiv e ly bind to glutathione peroxidase, while quercetin showed the strongest affinity for superoxide dismutase SOD.

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