Plants (Apr 2024)

Phytochemical, In Vitro, In Vivo, and In Silico Research on the Extract of <i>Ajuga chamaepitys</i> (L.) Schreb.

  • Elis Ionus,
  • Verginica Schröder,
  • Carmen Lidia Chiţescu,
  • Laura Adriana Bucur,
  • Carmen Elena Lupu,
  • Denisa-Elena Dumitrescu,
  • Liliana Popescu,
  • Dragoș Paul Mihai,
  • Octavian Tudorel Olaru,
  • George Mihai Nițulescu,
  • Rica Boscencu,
  • Cerasela Elena Gîrd

DOI
https://doi.org/10.3390/plants13091192
Journal volume & issue
Vol. 13, no. 9
p. 1192

Abstract

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The present study focuses on the chemical characterization of a dry extract obtained from the species Ajuga chamaepitys (L.) Schreb, evaluating its antioxidant properties, toxicity, and in silico profile. Quantitative analysis of the dry extract revealed a notable amount of phytochemical compounds: 59.932 ± 21.167 mg rutin equivalents (mg REs)/g dry weight, 45.864 ± 4.434 mg chlorogenic acid equivalents (mg ChAEs)/g dry weight and, respectively, 83.307 ± 3.989 mg tannic acid equivalents (TAEs)/g dry weight. By UHPLC-HRMS/MS, the following were quantified as major compounds: caffeic acid (3253.8 μg/g extract) and kaempherol (3041.5 μg/g extract); more than 11 types of polyphenolic compounds were quantified (genistin 730.2 μg/g extract, naringenin 395 μg/g extract, apigenin 325.7 μg/g extract, galangin 283.3 μg/g extract, ferulic acid 254.3 μg/g extract, p-coumaric acid 198.2 μg/g extract, rutin 110.6 μg/g extract, chrysin 90.22 μg/g extract, syringic acid 84.2 μg/g extract, pinocembrin 32.7 μg/g extract, ellagic acid 18.2 μg/g extract). The antioxidant activity was in accordance with the amount of phytochemical compounds: IC50DPPH = 483.6 ± 41.4 µg/mL, IC50ABTS•+ = 127.4 ± 20.2 µg/mL, and EC50FRAP = 491.6 ± 2 µg/mL. On the larvae of Artemia sp., it was found that the extract has a low cytotoxic action. In silico studies have highlighted the possibility of inhibiting the activity of protein kinases CDK5 and GSK-3b for apigenin, galangin, and kaempferol, with possible utility for treating neurodegenerative pathologies and neuropathic pain. Further studies are warranted to confirm the predicted molecular mechanisms of action and to further investigate the therapeutic potential in animal models of neurological disorders.

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