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

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

doi:10.1007/s42977-022-00111-w

Cited by 8 publications

(3 citation statements)

References 52 publications

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“…Compounds show bioactivities by binding with particular proteins. [38]. Table 3 shows the target proteins included in the top 50 scores after clustering analysis by R. Among them, NFKB1 has the highest score in all of the essential oils.…”

Section: Comparison and Analysis Of Key Proteins Of Aaeos And Aveosmentioning

confidence: 99%

Comparative Analysis of Active Ingredients and Potential Bioactivities of Essential Oils from Artemisia argyi and A. verlotorum

et al. 2023

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Artemisia argyi H. Lév. and Vaniot is a variety of Chinese mugwort widely cultured in central China. A. verlotorum Lamotte, another variety of Chinese mugwort, has been used in the southern region of China since ancient times. Despite their similar uses in traditional medicine, little is known about the differences in their active ingredients and potential benefits. Herein, the chemical compositions of the essential oils (EOs) from both varieties were analyzed using chromatography-mass spectrometry (GC-MS). A series of databases, such as the Traditional Chinese Medicine Systems Pharmacology database (TCMSP), SuperPred database and R tool, were applied to build a networking of the EOs. Our results revealed significant differences in the chemical compositions of the two Artemisia EOs. However, we found that they shared similar ingredient–target–pathway networking with diverse bioactivities, such as neuroprotective, anti-cancer and anti-inflammatory. Furthermore, our protein connection networking analysis showed that transcription factor p65 (RELA), phosphatidylinositol 3-kinase regulatory subunit alpha (PIK3R1) and mitogen-activated protein kinase 1 (MAPK1) are crucial for the biological activity of Artemisia EOs. Our findings provided evidence for the use of A. verlotorum as Chinese mugwort in southern China.

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Section: Comparison and Analysis Of Key Proteins Of Aaeos And Aveosmentioning

confidence: 99%

Comparative Analysis of Active Ingredients and Potential Bioactivities of Essential Oils from Artemisia argyi and A. verlotorum

et al. 2023

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“…Studies of essential oils containing this natural product have identified citral as having anticancer and antioxidant properties. A recent computational study of the effect of essential oils from Cymbopogon or lemongrass species on the protein network implicated citral as a chemo-preventative compound [ 18 ]. Another study utilized proteomic and molecular approaches to show that the essential oil from Ocimum × africanum induced apoptosis of human gastric cancer cell line by causing endoplasmic reticulum stress and impairment of the formation of the ribosome.…”

Section: Biological Activities Of Monoterpenesmentioning

confidence: 99%

“…Compound 17 can be deprotected by BBr 3 to yield the natural product (+)-psoracorylifol F (100a) in good yield, which was subjected to regioselective mCPBA epoxidation, and subsequent LiAlH 4 reductive opening of the epoxide provided (−)-7β,8β-hydroxy-12β-cyclobakuchiol C (100b). Aromatic methoxy deprotection of compound 17' by thermal treatment in the presence of the thio-anion led to the natural product (−)-8α-hydroxy-12β-psoracorylifol F (18). Compound 13 was exposed to a three-step synthetic sequence strategy, α-epimerization, carbonyl reduction via NaBH 4 treatment, and heat-mediated thio-anion methyl deprotection of the phenol provided natural product (−)-7β,8α-hydroxy-12β-psoracorylifol F (100d).…”

Section: Chemistry and Biological Activities Of Selected Meroterpenoidsmentioning

confidence: 99%

Recent Advances in Chemistry and Antioxidant/Anticancer Biology of Monoterpene and Meroterpenoid Natural Product

Barras,

Ling,

Rivas

2024

Molecules

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Monoterpenes and meroterpenes are two large classes of isoprene-based molecules produced by terrestrial plants and unicellular organisms as diverse secondary metabolites. The global rising incidence of cancer has led to a renewed interest in natural products. These monoterpenes and meroterpenes represent a novel source of molecular scaffolds that can serve as medicinal chemistry platforms for the development of potential preclinical leads. Furthermore, some of these natural products are either abundant, or their synthetic strategies are scalable as it will be indicated here, facilitating their derivatization to expand their scope in drug discovery. This review is a collection of representative updates (from 2016–2023) in biologically active monoterpene and meroterpenoid natural products and focuses on the recent findings of the pharmacological potential of these bioactive compounds as well as the newly developed synthetic strategies employed to access them. Particular emphasis will be placed on the anticancer and antioxidant potential of these compounds in order to raise knowledge for further investigations into the development of potential anti-cancer therapeutics. The mounting experimental evidence from various research groups across the globe regarding the use of these natural products at pre-clinical levels, renders them a fast-track research area worth of attention.

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Microwave-assisted enzymatic synthesis of geraniol esters in solvent-free systems: optimization of the reaction parameters, purification and characterization of the products, and biocatalyst reuse

et al. 2023

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Various geraniol esters act as insect pheromones and display pharmacological activities, especially as neuroprotective agents. Therefore, the search for synthetic strategies alternative to traditional chemical synthesis could help designing ecofriendly routes for the preparation of such bioactive compounds. Hence, this work aims at the microwave-assisted enzymatic synthesis of geranyl esters in solvent-free systems. The process variables were optimized for the synthesis of geranyl acetoacetate, achieving 85% conversion after 60 min using a 1:5 substrates molar ratio (ester to geraniol), 80 °C and 8.4% of Lipozyme 435 lipase without removal of the co-produced methanol. On the other hand, a 95% conversion was reached after 30 min using 1:6 substrates molar ratio, 70 °C and 7% lipase in the presence of 5Å molecular sieves for the methanol capture. In addition, the lipase showed good reusability, maintaining the same activity for five reaction cycles. Finally, under the above optimized conditions, other geraniol esters were successfully synthetized such as the geranyl butyrate (98%), geranyl hexanoate (99%), geranyl octanoate (98%), and geranyl (R)-3-hydroxybutyrate (56%). These results demonstrate the microwave-assisted lipase-catalyzed transesterification in a solvent-free system as an excellent and sustainable catalytic methodology to produce geraniol esters. Graphical Abstract

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

Cited by 8 publications

References 52 publications

Comparative Analysis of Active Ingredients and Potential Bioactivities of Essential Oils from Artemisia argyi and A. verlotorum

Comparative Analysis of Active Ingredients and Potential Bioactivities of Essential Oils from Artemisia argyi and A. verlotorum

Recent Advances in Chemistry and Antioxidant/Anticancer Biology of Monoterpene and Meroterpenoid Natural Product

Microwave-assisted enzymatic synthesis of geraniol esters in solvent-free systems: optimization of the reaction parameters, purification and characterization of the products, and biocatalyst reuse

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