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.

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.