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Hedychium coronarium plant has attracted considerable attention from researchers due to its diverse phytochemical composition and potential therapeutic applications. The objective of this study was to evaluate the phytochemical profile and biological attributes of H. coronarium essential oils collected during different seasons in the Kumaun region of Uttarakhand. The essential oils were extracted from the rhizomes using hydrodistillation with a Clevenger-type apparatus yielding between 0.07 % to 0.38 % (w/w). The major compounds identified by GC-MS analysis exhibited seasonal variations and included 1,8-cineole (26.6-38.5 %), coronarin E (11.9-18.8 %), α-pinene (5.00-14.9 %), α-terpineol (4.2-9.3 %), (E)-β-caryophyllene (1.2-9.7 %), and linalool (0.4-2.9 %). To illustrate the variations in oil composition, visualization techniques such as heat map and PCA were employed. The essential oils demonstrated potential biological activity in all tests conducted. The molecular modeling study indicated that the potential mechanism may be associated with acetylcholinesterase. Consequently, this study contributes to the development of novel natural pesticides., (© 2024 Wiley-VHCA AG, Zurich, Switzerland.)

Bignonia nocturna (Bignoniaceae) is a plant used for medicinal purposes by the Amazonian indigenous peoples. To date, there have been no reported studies on its toxicity. The present study aimed to evaluate the chemical composition of essential oils obtained from Bignonia nocturna by different extraction techniques. In addition, an in silico study of the molecular interactions was performed using molecular docking and molecular dynamics. The extractions were carried out by hydrodistillation, simultaneous distillation-extraction, and steam distillation, using samples collected from the Amazon in summer and winter. The chemical composition was analyzed by GC/FID and GC/MS, and the cytotoxic activity in Artemia salina Leach was evaluated. The maximum yield (1.38 % w/w) was obtained by hydrodistillation. The results indicated that benzaldehyde predominated in all the fractions of both the volatile concentrate and the essential oils. In addition, the oil proved to be highly toxic to Artemia salina. The computer simulation results indicated that benzaldehyde strongly interacts with acetylcholinesterase, which is the likely interaction mechanism responsible for the cytotoxicity., (© 2021 Wiley-VHCA AG, Zurich, Switzerland.)