Essential Oils From the Trunks and Leaves of Paramignya scandens (Griff.) Craib From Vietnam: Phytochemical Composition, In Vitro α-Amylase and Tyrosinase Inhibitory Activities and In Silico Molecular Docking Studies.

Objective/Background: This work aims to evaluate the chemical composition of Paramignya scandens essential oils (EOs), their in vitro α -amylase, tyrosinase inhibitory activities, and in silico molecular docking study. Methods: The EOs of P scandens trunks and leaves were extracted by hydrodistillation process and the chemical compositions were determined by gas chromatography-mass spectrometry. These EOs were also tested for in vitro α -amylase and tyrosinase inhibitory activities. Additionally, in silico molecular docking simulations on the main components of the EOs were performed. Results: The EO profiles of P scandens trunks and leaves included 21 (98.8%) and 34 (89.7%) components, respectively. The main compounds in the trunk EO were (E)- β -caryophyllene (60.8%), α -humulene (13.0%), and germacrene D (7.4%). The predominant compounds of the leaf EO were caryophyllene oxide (16.7%), (E) -β -caryophyllene (14.6%), spathulenol (12.2%), germacrene D (6.5%), and α -humulene (5.0%). Moreover, their α -amylase and tyrosinase inhibitory effects were demonstrated for the first time. In molecular docking results, (E)- β -caryophyllene was the potential compound in EOs with the best binding affinity against the α -amylase enzyme, whereas spathulenol revealed the strongest binding ability with the tyrosinase enzyme. Furthermore, the assessment of potential interactions between the main components of the EOs and the selected proteins was elucidated. Conclusions: The results of this work revealed that EOs of P scandens trunks and leaves had α -amylase and tyrosinase inhibition properties and potential applications in nutraceuticals, medicine, and cosmetics. [ABSTRACT FROM AUTHOR]

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