1. The Leaf Essential Oils of Syzygium oblatum and Syzygium abortivum : Chemical Composition, Antimicrobial Activity, and Molecular Docking Study.
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Dai, Do Ngoc, Huong, Le Thi, Quynh, Pham Thi Nhu, Le Quyen, Nguyen Thi, Linh, Nguyen Ngoc, Nhung, Phi Thi Tuyet, Xuan Ha, Nguyen, and Son, Ninh The
- Subjects
ESSENTIAL oils ,BACILLUS (Bacteria) ,MOLECULAR docking ,BACILLUS cereus ,ANALYTICAL chemistry - Abstract
Background and Objectives: Syzygium (the family Myrtaceae) is a well-known genus in the field of food chemistry and medicinal purposes. The current study aims to provide a chemical analysis of essential oils from the fresh leaves of two Vietnamese Syzygium species Syzygium oblatum (Roxb.) Wall. ex Steudel and S. abortivum (Gagnep.) Merr. & L.M.Perry. Methods: Chemical compounds in essential oils were identified using GC-FID/MS (gas chromatography-flame ionization detection/mass spectrometry) analysis. The broth microdilution method was used for the antimicrobial assay. Docking stimulation aided experimental results. Results: (E)-Caryophyllene (27.89%), α -selinene (18.34%), β -selinene (17.48%), and α -pinene (5.20%) were identified to be the main compounds in S. oblatum leaf essential oil, whereas the leaf essential oil of S. abortivum was dominated by (E)-caryophyllene (19.56%), δ -cadinene (11.03%), germacrene D (10.34%), and γ -muurolene (5.50%). It noted that both studied oil samples with the MIC/IC
50 values of 8-32 µg/mL/4.56-10.37 µg/mL were comparable to the standard drugs in antimicrobial experiments against the Gram-positive bacteria Bacillus cereus and Enterococcus faecalis, and yeast Candida albicans. Molecular docking results showed that the main compound (E)-caryophyllene primarily formed hydrophobic interactions with the microbial proteins C. albicans N-myristoyl transferase B. cereus patB1, and E. faecalis carbamate kinase with the binding affinities of −6.969, −6.342, and −5.530 kcal/mol, respectively Conclusion: It is advised to isolate the main chemicals and conduct in vivo antibacterial experiments for both essential oils and their main compounds. [ABSTRACT FROM AUTHOR]- Published
- 2024
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