GC-MS and computational studies on the phytochemicals from Anthocleista djalonensis stem bark: insights into its ethnomedicinal use for acute appendicitis

利用气相色谱-质谱联用和计算方法研究安索克莱斯塔·贾隆树皮中的植物化学成分:深入了解其在治疗急性阑尾炎中的民族药用价值

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Abstract

Acute appendicitis is commonly treated by appendectomy, which may be costly, risky, or unsuitable for some patients. Anecdotal reports suggest that Anthocleista djalonensis is a traditional, cost-effective remedy for this inflammatory condition, yet potential underlying mechanisms remain poorly understood. This study combined gas chromatography-mass spectrometry (GC-MS) and computational approaches to characterize the stem bark extract of A. djalonensis and explore its mechanistic relevance to acute appendicitis. GC-MS analysis identified methyl palmitate, methyl oleate, methyl stearate, and palmitoleic acid in the volatile oil of the stem bark. These compounds, together with phytoconstituents retrieved from the literature and public databases, were subsequently screened using established oral bioavailability and drug-likeness criteria to determine their inclusion in network pharmacology analysis. Network and functional enrichment analyses suggest that A. djalonensis bioactive compounds, including quercetin, resveratrol, pentadecanoic, palmitoleic, and caffeic acids, may exert multi-target regulation of inflammatory and metabolic pathways. These pathways include PI3K/Akt, HIF-1, endocrine resistance, and EGFR signaling, involving AKT1, GAPDH, TNF, and EGFR, among other core targets. Despite limitations inherent in computational prediction and limited experimental validation, these findings offer valuable insights to advance understanding of A. djalonensis's ethnomedicinal use in treating acute appendicitis.

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