The leaf essential oils of Meiogyne virgata (Blume) Miq., M. vietnamica Jaikhamseub, T.A.Le & Chaowasku, and Orophea polycarpa A.DC.: Chemical composition, antimicrobial activity, molecular docking, and toxicity profiling.

The present study aims to describe the chemical composition of essential oils from three Vietnamese Annonaceae species, Meiogyne virgata, M. vietnamica, and Orophea polycarpa, and their antimicrobial activity. Essential oils were extracted by hydro-distillation. From the GC-FID/MS (gas chromatography-flame ionization detection and mass spectrometry) analysis, the leaf essential oil of M. virgata was reported to contain the major compound germacrene D (42.48%). Spathulenol (24.51%), bicyclogermacrene (18.58%), β-selinene (11.14%), and germacrene D (8.20%) can be seen as the main compound in M. vietnamica leaf essential oil. α-Phellandrene (39.35%), bicyclogermacrene (13.07%), β-phellandrene (10.87%), and limonene (8.27%) represented O. polycarpa leaf essential oil. Essential oil of M. virgata leaves exhibited strong antimicrobial activity against the Gram (+) bacterium Bacillus subtilis ATCC 5230, the Gram (-) bacterium Escherichia coli ATCC 8739, and the fungus Aspergillus niger ATCC 9587 with the same MIC value of 16 μg/mL. The docking method showed that germacrene D has the ΔGbinding (binding affinity) values of –6.68, –5.265, and –5.602 kcal/mol with the proteins E. coli DNA gyrase, B. subtilis TasA, and A. niger PhyA, respectively. Alkyl and pi-alkyl interactions are the main contributors to the binding affinity between the studied proteins and ligands. Furthermore, germacrene D is predicted to have low toxicity and is not active against any of the considered organ targets. [ABSTRACT FROM AUTHOR]