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

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Abstract

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.

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Acknowledgements

The authors are highly grateful to the founder President Dr. Ashok K Chauhan and Chancellor Mr. Atul Chauhan of Amity University Uttar Pradesh, Noida, India for providing all the support and facilities to carry out the work.

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  1. Amity Institute of Biotechnology, Amity University Uttar Pradesh, Sector 125, Noida, Uttar Pradesh, 201303, India

    Hina Bansal, Vusala Sri Sai Pravallika, Gauri Srivastava & Deepak Ganjewala

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  1. Hina Bansal
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Correspondence to Deepak Ganjewala.

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Bansal, H., Pravallika, V.S.S., Srivastava, G. et al. Bioactivity assessment of essential oils of Cymbopogon species using a network pharmacology approach. BIOLOGIA FUTURA 73, 107–118 (2022). https://doi.org/10.1007/s42977-022-00111-w

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