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(L.)Spreng. 和 (L.)Jacq. 精油的气相色谱/质谱分析及分子对接法的抗胆碱酯酶活性。

Anticholinesterases activity of (L.) Spreng. and (L.) Jacq. essential oils with GC/MS analysis and molecular docking.

机构信息

Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Cairo, Egypt.

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Cairo University, Cairo, Egypt.

出版信息

Nat Prod Res. 2024 Jun;38(12):2155-2159. doi: 10.1080/14786419.2023.2241150. Epub 2023 Jul 30.

DOI:10.1080/14786419.2023.2241150
PMID:37516925
Abstract

GC/MS analysis of (L.) Spreng. and (L.) Jacq. leaves revealed the identification of 73 components, with an evident greater contribution of monoterpenes hydrocarbons to their total volatiles. α-Pinene (37.5%) and β-caryophyllene (27.4%) were the most abundant compounds in leaves and β-phellandrene (40.7%) in leaves, using headspace. β-Phellandrene (33.7%) was the major constituent by leaves where germacrene D (23.8%), and δ-elemene (22.0%) were predominant in leaves, using steam distillation. leaves oil showed quite remarkable cholinesterase inhibitory activity, where oil of leaves showed strong inhibitory activity against AChE (IC=13.2 ± 0.9 µg/mL) and BChE (IC=5.1 ± 0.3 µg/mL). Germacrene D, α-zingiberene, and δ-elemene showed higher affinity to BChE than AChE as revealed from docking scores (S = -5.65 to -6.03 Kcal/mol) for BChE and (S = -5.56 to -6.25 Kcal/mol) for AChE.

摘要

GC/MS 分析表明,(L.)Spreng. 和(L.)Jacq. 的叶子中鉴定出 73 种成分,其挥发性成分中以单萜烃的明显贡献更大。α-蒎烯(37.5%)和 β-石竹烯(27.4%)是叶子中含量最丰富的化合物,β-水芹烯(40.7%)是叶子中含量最丰富的化合物。使用顶空法。β-水芹烯(33.7%)是叶子中含量最丰富的化合物,而大根香叶烯 D(23.8%)和 δ-榄香烯(22.0%)则是叶子中含量最丰富的化合物,使用水蒸气蒸馏法。叶子油显示出相当显著的乙酰胆碱酯酶抑制活性,其中叶子油对 AChE(IC=13.2±0.9μg/mL)和 BChE(IC=5.1±0.3μg/mL)具有强烈的抑制活性。大根香叶烯 D、α-姜黄烯和 δ-榄香烯对 BChE 的亲和力高于 AChE,从对接评分(S=-5.65 至-6.03 Kcal/mol)来看,对 BChE 的亲和力高于 AChE,对 AChE 的亲和力为-5.56 至-6.25 Kcal/mol。

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