Bioactivity assessment of essential oils of Cymbopogon species using a network pharmacology approach

Essential oils of  Cymbopogon  species have wide commercial applications in fragrance, perfumery, and pharmaceuticals as they exhibit a horizon of bioactivities. Here, essential oils of C. flexuosus and C. martinii were analysed to identify bioactive constituents and bioactivities using a network ph...

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Bibliographic Details
Published in:Biologia futura 2022-03, Vol.73 (1), p.107-118
Main Authors: Bansal, Hina, Pravallika, Vusala Sri Sai, Srivastava, Gauri, Ganjewala, Deepak
Format: Article
Language:English
Subjects:
Anti-Inflammatory Agents - analysis
Biomedical and Life Sciences
Cell Biology
Cymbopogon
Ecotoxicology
Gas Chromatography-Mass Spectrometry
Life Sciences
Network Pharmacology
Neurobiology
Oils, Volatile - pharmacology
Original Paper
Plant Sciences
Zoology
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Summary:Essential oils of  Cymbopogon  species have wide commercial applications in fragrance, perfumery, and pharmaceuticals as they exhibit a horizon of bioactivities. Here, essential oils of C. flexuosus and C. martinii were analysed to identify bioactive constituents and bioactivities using a network pharmacology approach. Essential oils were isolated using hydro-distillation in a mini Clevenger apparatus. Analysis of essential oils by GC–MS revealed 20 and 15 chemical constituents in C. flexuosus and C. martinii , respectively. An ingredient-target protein-pathway network was constructed comprising 10 oil constituents (citral, geraniol, geranyl acetate, limonene, linalool, α-terpineol, borneol, α-pinene, myrcene, and n-decanol), 14 target proteins, 51 related pathways, and 108 connections. Analyses of the network showed geraniol, geranyl acetate, limonene, linalool, and citral as major active constituents. A core sub-network constructed from the ingredient-target protein-pathway network revealed bioactivities including anti-cancer, anti-inflammatory and neuroprotective. The protein association network pointed out the major target proteins viz ., THRB, FXR, ALOX15, and TSHR and pathways like metabolic, and neuroactive ligand-receptor interaction pathways of essential oil constituents. The target proteins and pathways provided insights into the mechanism of action of bioactive constituents. Based on the results of the study, geraniol was correlated with neuroprotective, citral to chemo-preventive, and limonene to anti-inflammatory activities. Thus, the study offers a new way for the assessment of the bioactivities of Cymbopogon species essential oils leading to the development of new biomedicines. Graphical abstract
ISSN:2676-8615
2676-8607
DOI:10.1007/s42977-022-00111-w