Plucchea indica (L.) 较少。是一种原产于亚洲的药用植物。传统上，它以多种传统用途而闻名，例如治疗发烧、咳嗽和消化问题。本研究旨在确定其新鲜叶和茎皮中精油的化学成分。通过水蒸馏和GC-FID/MS（气相色谱-火焰离子化检测/质谱）分析，研究的样品主要由倍半萜烯烃（76.8-82.2%）及其含氧衍生物（8.4-19.0%）组成。主要化合物为β-Selinene (42.0-43.5%) 和silphinene (21.1-22.9%)。值得注意的是，茎皮精油强烈监测四种癌细胞系 K562、HeLa、HepG2 和 MCF-7 的生长，IC50 值为 2.89-7.34 µg/mL。两个研究样品均对 NO（一氧化氮）产生具有很强的抗炎活性，IC50 值为 21.81-23.18 µg/mL。研究的样品还表现出不同水平的抗菌活性。分子对接研究表明，β-selinene 对所有四种癌症相关蛋白靶点表现出最强的结合亲和力：表皮生长因子受体 (EGFR)、人表皮生长因子受体 2 (HER2)、Abelson 酪氨酸蛋白激酶 1 (ABL1)和磷脂酰肌醇 3-激酶 (PI3K-α)。预计主要化合物的 ADMET 谱也将为进一步的研究考虑提供见解。© 2024 Wiley‐VCH GmbH。

Pluchea indica (L.) Less. is a medicinal plant native to Asia. Traditionally, it is known for numerous traditional uses, such as treatments for fever, cough, and digestive issues. The present investigation aims to determine the chemical compositions of essential oils from its fresh leaves and stem barks. By using hydro-distillation and the GC-FID/MS (gas chromatography-flame ionization detection/mass spectrometry) analysis, the studied samples were dominated by sesquiterpene hydrocarbons (76.8-82.2%) and their oxygenated derivatives (8.4-19.0%). β-Selinene (42.0-43.5%) and silphinene (21.1-22.9%) were the main compounds. Significantly, the stem bark essential oil strongly monitored the growth of four cancer cell lines K562, HeLa, HepG2, and MCF-7 with IC50 values of 2.89-7.34 µg/mL. Both studied samples showed strong anti-inflammatory activity against NO (nitric oxide) production with IC50 values of 21.81-23.18 µg/mL. The studied sample also exhibited antimicrobial activity at different levels. The molecular docking study revealed that β-selinene exhibited the strongest binding affinity for all four cancer-related protein targets: epidermal growth factor receptor (EGFR), human epidermal growth factor receptor 2 (HER2), Abelson tyrosine-protein kinase 1 (ABL1), and phosphatidylinositol 3-kinase (PI3K-α). The ADMET profiles of the major compounds were also predicted to provide insights for further research considerations.© 2024 Wiley‐VCH GmbH.