In:
Zeitschrift für Naturforschung C, Walter de Gruyter GmbH, Vol. 77, No. 5-6 ( 2022-05-25), p. 207-218
Abstract:
Phytochemical investigation applying GC (gas chromatography)-MS (mass spectrometry)/GC-FID (flame ionization detection) on the hydro-distilled essential oils of the Vietnamese medicinal plant Uvaria boniana leaf and twig lead to the detection of 35 constituents (97.36%) in the leaf oil and 52 constituents (98.75%) in the twig oil. Monoterpenes, monoterpenoids, sesquiterpenes, and sesquiterpenoids were characteristic of U. boniana essential oils. The leaf oil was represented by major components ( E )-caryophyllene (16.90%), bicyclogermacrene (15.95%), α -humulene (14.96%), and linalool (12.40%), whereas four compounds α -cadinol (16.16%), epi - α -muurolol (10.19%), α -pinene (11.01%), and β -pinene (8.08%) were the main ones in the twig oil. As compared with the leaf oil, the twig oil was better in antimicrobial activity. With the same MIC value of 40 mg/mL, the twig oil successfully controlled the growth of Gram (+) bacterium Bacillus subtilis , Gram (−) bacterium Escherichia coli , fungus Aspergillus niger , and yeast Saccharomyces cerevisiae . In addition, both two oil samples have induced antiinflammatory activity with the IC 50 values of 223.7–240.6 mg/mL in NO productive inhibition when BV2 cells had been stimulated by LPS. Docking simulations of four major compounds of U. boniana twig oil on eight relevant antibacterial targets revealed that epi - α -muurolol and α -cadinol are moderate inhibitors of E. coli DNA gyrase subunit B, penicillin binding protein 2X and penicillin binding protein 3 of Pseudomonas aeruginosa with similar free binding energies of −30.1, −29.3, and −29.3 kJ/mol, respectively. Furthermore, in silico ADMET studies indicated that all four docked compounds have acceptable oral absorption, low metabolism, and appropriated toxicological profile to be considered further as drug candidates.
Type of Medium:
Online Resource
ISSN:
0939-5075
,
1865-7125
DOI:
10.1515/znc-2021-0111
Language:
English
Publisher:
Walter de Gruyter GmbH
Publication Date:
2022
detail.hit.zdb_id:
2078107-6
SSG:
12
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