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Ligustrum sinense Lour.: Essential Oil Compositions, Biological Activities, and In Silico Studies-A First Record.

Ninh The Son1, Phan Hong Minh2, Huynh Thi Ngoc Ni3

  • 1Institute of Chemistry, Vietnam Academy of Science and Technology (VAST), Hanoi, Vietnam.

Chemistry & Biodiversity
|December 12, 2025
PubMed
Summary

Essential oils from Ligustrum sinense show significant alpha-glucosidase inhibitory and DPPH radical scavenging activities. Major compounds like germacrene B exhibit strong binding to human aldose reductase, suggesting potential therapeutic applications.

Keywords:
Ligustrum sinensebiological activityessential oilmolecular dockingtoxicity prediction

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Area of Science:

  • Phytochemistry
  • Pharmacology
  • Computational Chemistry

Background:

  • Ligustrum sinense (Oleaceae family) is traditionally used in herbal medicine.
  • Essential oils are known for their diverse biological activities.
  • Understanding the chemical composition and bioactivity of L. sinense essential oils is crucial for exploring their therapeutic potential.

Purpose of the Study:

  • To perform a chemical analysis of essential oils from Ligustrum sinense.
  • To evaluate the alpha-glucosidase inhibitory and DPPH radical scavenging activities of the essential oils.
  • To investigate the potential of L. sinense essential oils in other biological activities and their interaction with human aldose reductase.

Main Methods:

  • Gas chromatography-mass spectrometry (GC-MS) for chemical analysis.
  • In vitro assays for alpha-glucosidase inhibition and DPPH radical scavenging.
  • Molecular docking studies targeting human aldose reductase (PDB ID: 3WY1).
  • Toxicity predictions for major compounds.

Main Results:

  • Major compounds identified: linalool, cis-phytol, methyl salicylate, and germacrene B.
  • Essential oils showed comparable alpha-glucosidase inhibitory activity to acarbose.
  • Leaf essential oil demonstrated superior DPPH radical scavenging activity compared to ascorbic acid.
  • Significant xanthine oxidase inhibitory, anti-inflammatory, protein tyrosine phosphatase 1B inhibitory, and antimicrobial activities were observed.
  • Germacrene B and cis-phytol exhibited strong binding affinities to human aldose reductase.
  • Toxicity predictions indicated germacrene B, cis-phytol, and linalool are relatively safe.

Conclusions:

  • Ligustrum sinense essential oils possess significant pharmacological properties, including alpha-glucosidase inhibition and antioxidant activity.
  • The identified major compounds, particularly germacrene B, show potential as therapeutic agents targeting aldose reductase.
  • Further research is warranted to explore the full therapeutic potential and safety profile of L. sinense essential oils.