Sesquiterpene‐Rich Essential Oil From Magnolia officinalis Stem Bark: Chemical Composition, Biological Activities, and In Silico Approach

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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 (IC 50 = 188.98 ± 5.60 µg/mL), exceeding that of the standard compound acarbose (IC 50 = 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.

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