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Abstract：
The generation of chemically engineered essential oils (CEEOs) prepared from bi-heteroatomic reactions using ammonium thiocyanate as a source of bioactive compounds is described. The impact of the reaction on the chemical composition of the mixtures was qualitatively demonstrated through GC-MS, utilizing univariate and multivariate analysis. The reaction transformed most of the components in the natural mixtures, thereby expanding the chemical diversity of the mixtures. Changes in inhibition properties between natural and CEEOs were demonstrated through acetylcholinesterase TLC autography, resulting in a threefold increase in the number of positive events due to the modification process. The chemically engineered Origanum vulgare L. essential oil was subjected to bioguided fractionation, leading to the discovery of four new active compounds with similar or higher potency than eserine against the enzyme. The results suggest that the directed chemical transformation of essential oils can be a valuable strategy for discovering new acetylcholinesterase (AChE) inhibitors.
摘要：
描述了使用硫氰酸铵作为生物活性化合物来源的双原子反应制备的化学工程精油（CEEO）的产生。通过GC-MS定性证明了反应对混合物化学成分的影响，利用单变量和多变量分析。该反应转化了天然混合物中的大部分成分，从而扩大混合物的化学多样性。通过乙酰胆碱酯酶TLC自动照相术证明了天然和CEEO之间抑制特性的变化，由于修改过程，导致积极事件的数量增加了三倍。对化学工程的牛至精油进行了生物酸化分馏，导致发现了四种新的活性化合物，其对酶的效力与eserine相似或更高。结果表明，精油的定向化学转化可能是发现新的乙酰胆碱酯酶（AChE）抑制剂的有价值的策略。
