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番石榴精油的化学成分、抗衰老活性及分子对接研究

Chemical Composition, Antiaging Activities and Molecular Docking Studies of Essential Oils from Acca sellowiana (Feijoa).

机构信息

Pharmacognosy Department, Faculty of Pharmacy, Ain-Shams University, Cairo, Egypt.

Center for Drug Discovery Research and Development, Ain Shams University, Egypt.

出版信息

Chem Biodivers. 2022 Sep;19(9):e202200272. doi: 10.1002/cbdv.202200272. Epub 2022 Sep 13.

Abstract

This study aimed to investigate the chemical composition of essential oils isolated from Acca sellowiana (feijoa) leaves and stems and elaborate on their relevance as natural anti-aging, coupled with molecular-docking studies. The isolated oils were analysed using gas chromatography-mass spectrometry analysis and investigated for inhibitory effects against acetylcholinesterase, β-secretase, collagenase, elastase and tyrosinase. Molecular-modelling study was performed using MOE-Dock program to evaluate binding interactions of major components with the above-mentioned targets. The leaf oil revealed the predominance of caryophyllene oxide (24.3 %), linalool (7.9 %), and spathulenol (6.6 %), while the stem oil was presented by caryophyllene oxide (38.1 %), α-zingiberene (10.1 %) and humulene oxide II (6.0 %). The stem oil expressed superior inhibitory activities against acetylcholinesterase (IC =0.15±0.01 μg/mL), β-secretase (IC =3.99±0.23 μg/mL), collagenase (IC =408.10±20.80 μg/mL), elastase (IC =0.17±0.01 μg/mL) and tyrosinase (IC =8.45±0.40 μg/mL). The valuable binding interactions and docking scores were observed for caryophyllene oxide and α-zingiberene with acetylcholinesterase. Besides, α-zingibirene followed by linalool and τ-cadinol revealed tight fitting with collagenase and elastase. Additionally, linalool, spathulenol and τ-cadinol showed the best binding energy to tyrosinase. This study provides valuable scientific data on A. sellowiana as potential candidates for the development of natural antiaging formulations. The current study provided scientific evidence for the potential use of feijoa essential oils in antiaging formulations and as an adjuvant for the prophylaxis against Alzheimer disease.

摘要

本研究旨在探讨巴西番樱桃(Feijoa sellowiana)叶和茎中分离的精油的化学成分,并详细阐述其作为天然抗衰老的相关性,同时进行分子对接研究。使用气相色谱-质谱分析对分离出的油进行分析,并研究其对乙酰胆碱酯酶、β-分泌酶、胶原酶、弹性蛋白酶和酪氨酸酶的抑制作用。使用 MOE-Dock 程序进行分子建模研究,以评估主要成分与上述靶标的结合相互作用。叶油以石竹烯氧化物(24.3%)、芳樟醇(7.9%)和斯巴醇(6.6%)为主,而茎油则以石竹烯氧化物(38.1%)、α-姜烯(10.1%)和葎草烯氧化物 II(6.0%)为主。茎油对乙酰胆碱酯酶(IC =0.15±0.01μg/mL)、β-分泌酶(IC =3.99±0.23μg/mL)、胶原酶(IC =408.10±20.80μg/mL)、弹性蛋白酶(IC =0.17±0.01μg/mL)和酪氨酸酶(IC =8.45±0.40μg/mL)表现出优异的抑制活性。石竹烯氧化物和α-姜烯与乙酰胆碱酯酶观察到有价值的结合相互作用和对接评分。此外,α-姜烯其次是芳樟醇和τ-雪松醇与胶原酶和弹性蛋白酶结合紧密。此外,芳樟醇、斯巴醇和τ-雪松醇对酪氨酸酶表现出最佳的结合能。本研究为巴西番樱桃作为天然抗衰老制剂的潜在候选物提供了有价值的科学数据。目前的研究为巴西番樱桃精油在抗衰老制剂中的潜在应用以及作为阿尔茨海默病预防的辅助剂提供了科学依据。

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