The Hedychium species encompasses approximately 80 distinct varieties, showcasing their adaptability as plants primarily valued for their striking, diverse, and fragrant flowers used in decorative applications. The unique characteristics of Hedychium essential oils suggest their potential use in developing plant-based preservatives aimed at extending stored food products shelf life. This study examined phytoconstituents, antimicrobial, and antioxidant properties of the essential oil derived from Hedychium ellipticum found in Uttarakhand. The oils were acquired through the hydrodistillation method before their characterization via GC-MS. The chemical examination of the oil identified 20 chemical compounds. The primary components detected include Terpinolene, Iso-isopulegol, Caryophyllene, Piperitol, Humulene, Farnesene, Rosifoliol, terpinene-4-ol, and trans-ocimene present in essential oil. The essential oil shows moderate to strong broad-spectrum antimicrobial activities. To elucidate the possible molecular basis of the observed antimicrobial activity, molecular docking studies were performed using the major compounds, iso-isopulegol and terpinolene, against key bacterial target proteins involved in DNA replication, cell wall biosynthesis, lipid metabolism, and folate pathways. Docking analysis revealed stable ligand-protein interactions, having binding affinities between -5.3 to -6.7 kcal/mol. Notably, iso-isopulegol showed strong binding with Klebsiella pneumoniae LpxH (-6.5 kcal/mol) and penicillin-binding protein 2X, while terpinolene exhibited the highest affinity toward the LpxH/JH-LPH-33 complex (-6.7 kcal/mol). These findings indicate a multi-target interaction profile of the major monoterpenoid constituents, supporting a polypharmacological mode of antibacterial action. Overall, the combined experimental and in silico results highlight H. ellipticum essential oil serves as a viable natural source of bioactive chemicals with prospective applications in pharmaceutical products.
Hedychium ellipticum, Hydrodistillation, Essential Oil, GC-MS, Antimicrobial Activity, Molecular Docking
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