In-vitro Bioevaluation, Pharmacokinetics and Molecular Docking Study of unexplored Bisabolol-rich Curcuma inodora Blatt. essential oil from Konkan region: A biodiversity hotspot

Authors

DOI:

https://doi.org/10.14719/pst.2103

Keywords:

α-Bisabolol(α-Bis), Curcuma inodora, Hydro-distilled Rhizome Essential Oil (HDREO), Molecular docking, Pharmacokinetics

Abstract

Curcuma inodora Blatt., belonging to the Zingiberaceae family is an endemic species from peninsular India. The extraction and some of the biological applications of leaves essential oil of this species had been reported from South India. Although the Konkan region is a biodiversity hotspot, no report on the medicinal applications of essential oils in this species is available to date. Herein, the ?–Bisabolol-rich rhizome essential oil from wild C. inodora was isolated by the hydrodistillation method and characterized by Gas Chromatography-Flame ionization detector (GC/ GC-FID) and Gas Chromatography High-resolution mass spectrometry (GC/HRMS) techniques for pharmacokinetics and molecular docking applications. The Hydrodistillation extract (HDREO) constituted 11 components with a major constituent, ?- Bisabolol (62.13%). In-vitro anti-bacterial, anti-fungal, anti-oxidant, and anti-inflammatory potential of rhizome oils were carried out. The pharmacokinetics of the major component, ?-Bisabolol, like high GI absorption, zero Lipinski violation with good bioavailability score, etc. support its candidacy as a drug. Further, docking was performed with the principal component ?- Bisabolol. The least binding energy conformation of ?–Bisabolol with anti-bacterial (3WGN.pdb), anti-fungal (1IYL.pdb), anti-oxidant (3MNG.pdb) and anti-inflammatory (1CX2.pdb) proteins were reported to be -7.01 kcal/mol, -8.15 kcal/mol, -7.82 kcal/mol, and –7.71 kcal/mol respectively. This shows, the significant binding affinity of ?–Bisabolol with proteins. So, the rhizome oil of this unexplored species can be utilized in developing novel phytopharmaceuticals and medicines after further study. To the best, this is a foremost report on the rhizome essential oil isolation by hydrodistillation method, its characterization, and its bio-evaluation with pharmacokinetics and docking applications of this species.

Downloads

Download data is not yet available.

References

Anand U, Herrera N, Altemimi A, Lakhassasi N.A Comprehensive Review on Medicinal Plants as Antimicrobial Therapeutics: Potential Avenues of Biocompatible Drug Discovery. Metabolites.2019, 9,258,1-13. DOI: 10.3390/metabo9110258.

Yuan H, Ma Q, Ye L, Piao G. The traditional medicine and modern medicine from natural products. Molecules.2016, 21,5,1-18. DOI: 10.3390/molecules21050559.

Sharifi –Rad M, Varoni EM, Saloh B, Sharifi-Rad J, Matthews KR, Ayotallahi SA, Kobarfard F, Ibrahim SA, Mnyayer D, Zakaria ZA, Sharifi-Rad, M, Yousaf Z, Ireti M, Basile A, Rigano D. Plants of the Genus Zingiber as a source of Bioactive Phytochemicals: From Tradition to Pharmacy. Molecules. 2017, 22, 2145. DOI:10.3390/molecules22122145.

Burt S. Essential oils: their antibacterial properties and potential applications in foods-a review. International Journal of Food Microbiology.2004,94:223-253. DOI: 10.1016/j.ijfoodmicro.2004.03.022.

Jadhao A S, Bhutkar A S. Genus Curcuma L. (Zingiberaceae) from Maharashtra state India. International Journal of Current Research in Biosciences and Plant Biology.2018,5, 10. DOI:10.20546/ijcrbp.2018.510.006.

Prabhukumar KM, Thomas V, Sabu M, Prasanth AV, Mohanan KV. Systematic and variability studies on ‘hidden purple ginger’, Curcuma inodora Blatter J. (Zingiberaceae)- an endemic promising ginger from Peninsular India. Webbia: Journal of Plant Taxonomy and Geography.2014,69(1),123-130. https://doi.org/10.1080/00837792.2014.913353.

Santoshkumar R, Yusuf A. Chemotaxonomic studies on rhizome extract compositions of twenty Curcuma species from South India. Biochemical Systematics and Ecology.2019,84, 21-25. https://doi.org/10.1016/j.bse.2019.03.005.

Malek S. N., Seng C.K., Zakaria Z., Ali N.A., Ibrahim H., Jalil M.N. The Essential Oil of Curcuma inodora aff. Blatter from Malaysia. Journal of Essential Oil Research. 2006, 18, 281-283. https://doi.org/10.1080/10412905.2006.9699088.

Djouhari, A., Boualem, S., Boudarene, L., Baaliouamer, A. Geographic’s variation impact on chemical composition, antioxidant and anti-inflammatory activities of essential oils from woods and leaves of Tetraclinis articulate (Vahl) Masters. Industrial Crops and Products. 2015, 63:138-146. https://doi.org/10.1016/j.indcrop.2014.10.018.

Adams R. P. Identification of essential oil components by gas chromatography/mass spectrometry. Fourth ed. Allured Publishing Corporation Carol Stream, Illinois,2007.

Wiegand I, Hilpert K, Hancock R. Agar and broth dilution methods to determine the minimal inhibitory concentration (MIC) of antimicrobial substances. Nature Protocols.2008,3:163-175. DOI:10.1038/nprot.2007.521.

Mothana R A, Noman O M, Al-Sheddi E S, Khaled JM, Al-Said M S, Al-Rehaily A J Chemical composition, in vitro antimicrobial, free-radical scavenging, antioxidant activities of essential oil of Leucas inflata Benth. Molecules.2017,22,367. DOI:10.3390/molecules22030367.

Li Q, Wang X, Chen J, Liu, C, Li T, McClementes DJ, Dai T, Liu J. Antioxidant activity of proanthocyanidins-rich fractions from Choreospondias axillaris peels using a combination of chemical-based methods and cellular-based assay. Food Chemistry. 2016,208,309-317. DOI: 10.1016/j.foodchem.2016.04.012.

Murtuza S, Manjunatha B K. In-vitro and in-vivo evaluation of anti-inflammatory potency Mesua ferrea, Saraca asoca, Viscum album & Anthocephalus cadamba in murine macrophages raw 264.7 cell lines and Wistar albino rats. Beni-Seuf University Journal of Basic and Applied Sciences.2018,.7,719-723. https://doi.org/10.1016/j.bjbas.2018.10.001.

Daina A, Michielin O, Zoete V. Swiss ADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific Reports. 2017,7, Article number: 42717. DOI: 10.1038/srep42717.

Morris G M, Ruth H, Lindstrom W, et al. Software news and updates AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. Journal of Computational Chemistry. 2009, 30:2785–2791. DOI:10.1002/jcc.21256.

Panda D, Bhattacharya D, Gao QH, et al. Identification of agents targeting FtsZ assembly. Future Medicinal Chemistry.2016,8,10,111-32. DOI: 10.4155/fmc-2016-0041.

Jeong S J, Park J G, Oh G T. Peroxiredoxins as potential targets for cardiovascular disease. Antioxidants. 2021,10,8,1244. DOI: 10.3390/antiox10081244.

Lipfert P, Seitz R, Arndt J O.Studies of local anesthetic action on natural spike activity in the aortic nerve of cats. Anesthesiology.1987, 66,2. DOI: 10.1097/00000542-198702000-00016.

BIOVIA D S .Discovery Studio Modeling Environment, Release 2017, San Diego. In: Dassault Systèmes,2016.

Eddin L J, Jha N K, et al. Health Benefits, Pharmacological Effects, Molecular Mechanisms, and Therapeutic Potential of ?-Bisabolol. Nutrients.2022,14,1370. DOI: 10.3390/nu14071370.

Toscano-Garibay J D, Alba M A, Navarrete J S, Garcia M M, Flores –Estrada J J, Moreno-Eutimio M A, Espinosa J J–Aguirre, Gonzalez-Avila M. & Ruiz-Perez N J . Antimutagenic and Antioxidant activity of the essential oils of Citrus sinesis and Citrus latifolia. Scientific Reports.2017,7,11479. DOI:10.1038/s41598-017-11818-5.

Kulkarni S. A., Naagarajan, S. K., Ramesh V., Palaniyandi V., Selvam S. P., Madhavan T. Computational evaluation of major components from plant essential oil as potent inhibitors of SARS-CoV-2 spike proteins. Journal of Molecular Structure.2020,1221,128823. DOI: 10.1016/j.molstruc.2020.128823.

Park J, Han F, Lee Ik-Soo. Biotransformation of (?)-?-Bisabolol by Absidia coerulea. Molecules.2022, 27,881. DOI: 10.3390/molecules27030881.

. Bezerra C F, Geraldo de A Junior J., et al. Antifungal Effect of Liposomal ? –Bisabolol and When Associated with Fluconazole. Cosmetics. 2021,8,28. https://doi.org/10.3390/cosmetics8020028.

Javed H, Nagoor Meeran M F, Azimullah S, Eddin L B, Dwivedi V D, Jha N and Oza S. ? –Bisabolol, a Dietary Bioactive Phytochemical Attenuates Dopaminergic Neurodegeneration through Modulation of Oxidative Stress, Neuroinflammation and Apoptosis in Rotenone –Induced Rat Model of Parkinson’s Disease. Biomolecules.2020,10,1421. DOI: 10.3390/biom10101421.

Alminderej F, Bakari S, Almundarij T, Snoussi M, Aouadi K and Kadri A. Antioxidant Activities of a New Chemotype of Piper cubeba L. Fruit Essential Oil (Methyleugenol/Eugenol): In Silico Molecular Docking and ADMET Studies. Plants.2020,9,1354. DOI: 10.3390/plants9111534.

Published

14-01-2023 — Updated on 01-04-2023

Versions

How to Cite

1.
Nagore P, Lokhande P, Mujawar H. In-vitro Bioevaluation, Pharmacokinetics and Molecular Docking Study of unexplored Bisabolol-rich Curcuma inodora Blatt. essential oil from Konkan region: A biodiversity hotspot. Plant Sci. Today [Internet]. 2023 Apr. 1 [cited 2024 Nov. 8];10(2):223-31. Available from: https://horizonepublishing.com/journals/index.php/PST/article/view/2103

Issue

Section

Research Articles