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Bioevaluation, Pharmacokinetics and Molecular docking study of Phenylpropanoid rich rhizome essential oil of understudied Zingiber neesanum from Konkan region of India

Authors

DOI:

https://doi.org/10.14719/pst.2088

Keywords:

[E]-3,4-Dimethoxy cinnamic acid methyl ester ([E]-3,4-DCME), Molecular docking, Pharmacokinetics, Ultra-sound assisted rhizome essential oil (USAREO), Zingiber neesanum

Abstract

Zingiber neesanum a species from the Zingiberaceae family exhibits convincing medicinal applications and is available vastly in the Konkan region. Its anti-inflammatory potential is an unexplored part. This work presents a Bioevaluation, Pharmacokinetics and Molecular docking study emphasizing the anti-inflammatory potential of rhizome oil of this species. An ultrasound-assisted solvent extraction method was employed to isolate oil and characterized by GC/FID and GC/HRMS techniques. The antimicrobial efficacies were checked by the Broth and Agar dilution protocols while the DPPH and ABTS assays were employed to test antioxidant potency. The anti-inflammatory potentials were tested by 3 methods-Heat-induced hemolysis, Inhibition of albumin denaturation and Proteinase inhibitory action. ADMET study was performed by the Swiss-ADME server while the docking was performed with AutoDock 4.2 software with a major component, [E]-3,4-Dimethoxy cinnamic acid methyl ester ([E]-3,4-DCME) using trypsin receptor. A pale yellow-colored essential oil was dominated by Phenylpropanoids (62.09%). Excellent antimicrobial potentials were observed versus Staphylococcus aureus and Candida albicans while excellent antioxidant activities were observed in both assays. But best anti-inflammatory action was documented in the albumin denaturation method. The pharmacokinetic properties of [E]-3,4-DCME, like high GI absorption, zero Lipinski violation with good bioavailability score etc., were promising. The docking results revealed that [E]-3,4-DCME has substantial binding affinity due to ‘H’ bonding interactions, and non-bonded Van der Waals and ?-alkyl type interactions with the active site residues of a receptor. So, this study concludes that the rhizome oil of this underexplored species could be utilized in developing novel phytopharmaceuticals after further study.

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Published

12-01-2023

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How to Cite

1.
Nagore P, Lokhande P, Mujawar H. Bioevaluation, Pharmacokinetics and Molecular docking study of Phenylpropanoid rich rhizome essential oil of understudied Zingiber neesanum from Konkan region of India . Plant Sci. Today [Internet]. 2023 Jan. 12 [cited 2024 Nov. 24];. Available from: https://horizonepublishing.com/journals/index.php/PST/article/view/2088

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