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June 5, 2026Results in Chemistry0 citationsOpen Access

In vitro and in silico investigation of the multifunctional bioactivity of the lichen Oxneriopsis bassiae (ach.) S.Y. Kondr., Upreti & Hur

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NNaincyGuru Nanak Dev UniversityNBNakul BhardwajGuru Nanak Dev UniversityGMGaurav K. MishraNational Botanical Research Institute

Key Points

  • This study aims to characterize the phytochemical profile and evaluate the enzyme inhibitory potential of Oxneriopsis bassiae extracts.
  • Phytochemical screening identified compounds such as phenols and flavonoids.
  • Chemical characterization used TLC, FTIR, and LC-MS.
  • Molecular docking and dynamics simulations assessed interactions with carbohydrate-metabolizing enzymes.
  • Extract shows antioxidant activity with significant results in DPPH, ABTS, and FRAP assays.
  • Notable inhibition of α-glucosidase (IC₅₀ = 95.25 μg/mL) and α-amylase (IC₅₀ = 495.24 μg/mL).
  • Molecular simulations indicate stable interactions of compounds with enzyme active sites.

Abstract

Lichens are recognized as rich sources of structurally diverse secondary metabolites with significant pharmacological potential. Several lichen-derived compounds exhibit antioxidant and enzyme inhibitory activities, particularly against carbohydrate-metabolizing enzymes involved in the regulation of postprandial hyperglycemia. The present study aimed to characterize the phytochemical profile and evaluate the carbohydrate-metabolizing enzyme inhibitory potential of the crude methanolic extract of Oxneriopsis bassiae , along with its antioxidant and photoprotective properties. Preliminary phytochemical screening confirmed the presence of phenols, flavonoids, tannins, and anthraquinones. Chemical characterization was performed using Thin-Layer Chromatography (TLC), Fourier-Transform Infrared Spectroscopy (FTIR), and Liquid Chromatography–Mass Spectrometry (LC-MS). TLC analysis revealed prominent bands in mid-polar solvent systems, particularly hexane: ethyl acetate (40:60 and 20:80). FTIR spectra showed strong absorption peaks between 1700 and 1640 cm −1 , indicating C O stretching of conjugated ketones typical of anthraquinone structures. LC-MS analysis identified ten compounds in positive ionization mode and eight in negative mode, with parietin detected as a major anthraquinone. The extract exhibited notable antioxidant activity in DPPH, ABTS, FRAP, and phosphomolybdenum assays. Significant inhibition of carbohydrate-metabolizing enzymes was observed, particularly α-glucosidase (IC₅₀ = 95.25 μg/mL) and α-amylase (IC₅₀ = 495.24 μg/mL). Molecular docking and molecular dynamics simulations further confirmed stable interactions of identified compounds within enzyme active sites, supporting its potential antioxidant, antidiabetic, and UV-protective applications.

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Cite This Study

Naincy et al. (2026) studied this question.

synapsesocial.com/papers/6a22672f763171746d545ef9https://doi.org/10.1016/j.rechem.2026.103525
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