GC-MS profiling, bioactivities and in silico theoretical explanation of cone oil from Pinus thunbergii Parl

The exploration of effective α-amylase inhibitors may lead to an efficient approach to treat diabetes. In vitro tests showed that the cone oil of Pinus thunbergii was more effective on α-amylase than on lipase. Twenty-four chemical compounds were identified by gas chromatography-mass spectrometry (GC–MS), representing 89.88% of the cone oil. The major compounds were D-limonene and α-pinene. To explore the active compounds in the oil mixture, we investigated the identified compounds through molecular docking. Results indicated that aromadendrene, α-copaene, β-copaene, caryophyllene and γ-cadinene with low binding energies demonstrated potential activity on α-amylase. Among them, aromadendrene completely enfolded in the active site was the major active compound. Its activity was assayed in vitro , and the IC 50 value was 63.84 ± 0.17 μg/mL. The study revealed that these active compounds acted alone or synergistically to inhibit α-amylase.