Authors
Nguyen Thi Kim Thanh, Phan Hong Minh, Huynh Thi Ngoc Ni, Tran Quang Hai, Le The Hoai, Le Ba Vinh, Pham Minh Quan, Nguyen Dinh Luyen, Ninh The Son
Published in
Chemistry & biodiversity. Volume 23. Issue 9. Pages e71642.
Abstract
The stem bark essential oil of Magnolia officinalis (M. officinalis) Rehder & E.H. Wilson was investigated for its chemical composition, biological activities, and in silico interactions. From the GC-FID/MS analysis, the sample was dominated by sesquiterpene hydrocarbons (85.38% ± 0.04%). The major constituents were (E)-caryophyllene (21.69% ± 0.020%), α-selinene (10.13% ± 0.016%), (Z)-β-farnesene (7.07% ± 0.011%), β-selinene (6.81% ± 0.006%), γ-muurolene (6.15% ± 0.008%), α-humulene (6.13% ± 0.007%), and δ-cadinene (5.26% ± 0.006%). Remarkably, this is the first report demonstrating the α-glucosidase inhibitory activity of M. officinalis stem bark essential oil, which exhibited significant activity (IC50 = 188.98 ± 5.60 µg/mL), exceeding that of the standard compound acarbose (IC50 = 240.06 ± 4.32 µg/mL). In addition, the essential oil possessed cytotoxicity against MCF-7 and HepG2 cancer cell lines, DPPH radical scavenging, anti-inflammatory activity against NO and PGE2 productions, and antimicrobial activities. Molecular docking analysis revealed that the major compounds exhibited moderate to strong binding affinities toward α-glucosidase, with binding energies ranging from -5.6 to -6.9 kcal/mol, comparable to acarbose, and predominantly stabilized by hydrophobic interactions. In addition, γ-muurolene and δ-cadinene emerged as the most promising candidates, combining strong binding affinity with optimal ADMET characteristics.
PMID:
42672862
Bibliographic data and abstract were imported from PubMed on 01 Sep 2026.
Read full publication at:
Please sign in
to see all details.
Advertisement
Stats
- Recommendations n/a n/a positive of 0 vote(s)
- Views 1
- Comments 0