HR-LCMS-Based Metabolite Profiling, Antioxidant, and Anticancer Properties of Teucrium polium L. Methanolic Extract: Computational and In Vitro Study

Abstract

In this study, we investigate the phytochemical profile, anticancer, and antioxidant activities of Teucrium polium methanolic extract using both in vitro and in silico approaches. The results showed the identification of 29 phytochemical compounds belonging to 13 classes of compounds and 20 tripeptides using High Resolution-Liquid Chromatography Mass Spectrometry (HR-LCMS). 13R-hydroxy-9E,11Z octadecadienoic acid, dihydrosamidin, valtratum, and cepharantine were the main compounds identified. The tested extract showed promising antioxidant activities (ABTS-IC50 = 0.042 mg/mL; 1,1-diphenyl-2-picrylhydrazyl (DPPH)-IC50 = 0.087 mg/mL, β-carotene-IC50 = 0.101 mg/mL and FRAP-IC50 = 0.292 mg/mL). Using both malignant Walker 256/B and MatLyLu cell lines, T. polium methanolic extract showed a dose/time-dependent antitumor activity. The molecular docking approach revealed that most of the identified molecules were specifically binding with human peroxiredoxin 5, human androgen, and human progesterone receptors with high binding affinity scores. The obtained results confirmed that T. polium is a rich source of bioactive molecules with antioxidant and antitumor potential.

Teucrium polium (L.): Phytochemical Screening and Biological Activities at Different Phenological Stages

“…It has been reported that T. polium compounds have anti-profilative, anti-diabetic, anticancer, and pro-apoptotic activities [ 15 , 29 ]. Recently, a lot of studies, focusing on the biological and pharmacological activity of plants in folk medicine, including the plant of Teucrium polium L., mostly have indicated significant differences in chemical composition (total flavonoids, total phenolic contents) and biological activity due to differences in the geographical location of the plant material but not differences due to its phenological stage [ 30 , 31 ].…”

Phytochemistry, Bioactivities, Pharmacokinetics and Toxicity Prediction of Selaginella repanda with Its Anticancer Potential against Human Lung, Breast and Colorectal Carcinoma Cell Lines

“…Several examples of plant-based drugs include nicotine (antimicrobial), nordihydroguaiaretic acid (antioxidant), vinblastine (anticancer), aescin (anti-inflammatory), acetyldigoxin (cardiotonic), l -dopa (antiparkinsonism), etc. In spite of the discovery of innumerable drugs of plant origin, the exploration of novel bioactive compounds is yet requisite to enhance the range access and to search less toxic and more efficacious drugs [ 4 , 5 , 6 ]. Medicinal and economic importance of higher plants, specifically angiosperms, has been explored thoroughly.…”

Development and Characterization of Novel Biopolymer Derived from Abelmoschus esculentus L. Extract and Its Antidiabetic Potential

“…Hence, attention has been shifted toward traditional and alternative medicines or foodderived products rich in antidiabetic phytoconstituents. The bioactive components present in plants and plants derived products such as alkaloids, flavonoids, glycosides, gum, carbohydrates, triterpenes, and different types of peptides are usually responsible for their therapeutic importance [18][19][20][21]. Recently, okra has been recognized for its potential therapeutic purposes due to the presence of various important phytochemicals including polysaccharides [1,22].…”