Biological Activities of Elsholtzia ciliata Essential Oil Grown in Vietnam: Experiment-Based Evidence and Computation-Based Mechanism | Chapter 9 | Advanced Research in Biological Science Vol. 2

 Elsholtzia ciliata (Thunb.) Hyland. (Lamiaceae) has happened known by folk happenings for various medicinal situations such as colds, fever, infirmity, headache, dizziness, rheumatism, pharyngitis, intestinal pain, diarrhea, vomiting, measles, and itching sores. This study aims to determine everyday components, antimicrobial, and antioxidant tests, as well as microscopic docking simulation predicts ultimate effective ligands from the E. ciliata essential oil. Experimentally, vapor chromatography-mass spectrometry identified 44 normal components (1-44), accounting for 91.67 %, and 4 mysterious compounds, 0.23 %; antimicrobial assays registered IZDmin 18.1 mm and MIC 0.5 mg.mL-1; antioxidant tests (2,2-diphenyl-1-picrylhydrazyl, DPPH) resulted in IC50 14.78 ± 1.24 mg.mL-1. Computationally, microscopic docking simulation foresees the most effective ligands against YmgB protein construction; 14-2OXL > 2-2OXL > 1-2OXL > 17-2OXL > 15-2OXL. The significant contribution maybe from 14 (Carveol: 27.35 %; DS -11.4 kcal.mol-1; root-mean-square deviation, RMSD 0.75 Å) and 17 (cis-Verbenyl acetate: 29.85 %; DS -10.4 kcal.mol-1; RMSD 1.54 Å). Physical properties conclude their suitability for biocompatible applications; ADMET pharmacokinetics and pharmacology anticipate their safety for medicinal use, exceptionally oral intake. The results help further attempts at E. ciliata essential oil for pharmaceutical incidents.

Author(s) Details:

Truong-Nhan Ngu,
Department of Natural Science and Technology, Tay Nguyen University, 567 Le Duan Str., Buon Ma Thuot, Dak Lak 630000, Vietnam.

Dam Thi Bich Hanh,
Department of Natural Science and Technology, Tay Nguyen University, 567 Le Duan Str., Buon Ma Thuot, Dak Lak 630000, Vietnam.

Le Thi Thuy Loan,
Department of Inspection and Legisla, Tay Nguyen University, 567 Le Duan Str., Buon Ma Thuot, Dak Lak Province, 630000, Vietnam.

Phu Khanh Nguyen,
Department of Biochemistry, Military Hospital 175, 876 Nguyen Kiem Street, Go Vap District, Ho Chi Minh City 70000, Vietnam.

Dao-Cuong To,
Phenikaa University Nano Institute (PHENA), Phenikaa University, Yen Nghia, Ha Dong District, Hanoi 12116, Vietnam.

Please see the link here: https://stm.bookpi.org/ARBS-V2/article/view/11640