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从 Link 提取物和精油中分离出的香豆素的分子对接研究,作为潜在的阿尔茨海默病抑制剂。

Molecular Docking Studies of Coumarins Isolated from Extracts and Essential Oils of Link as Potential Inhibitors for Alzheimer's Disease.

机构信息

Department of Pharmacognosy, Faculty of Pharmacy, Ataturk University, 25240 Erzurum, Turkey.

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ataturk University, 25240 Erzurum, Turkey.

出版信息

Molecules. 2019 Feb 17;24(4):722. doi: 10.3390/molecules24040722.

Abstract

Coumarins and essential oils are the major components of the Apiaceae family and the genus. The present study reports anticholinesterase and antioxidant activities of extracts and essential oils from aerial parts, roots, flowers, fruits and coumarins-bergapten (); imperatorin (), pimpinellin () and umbelliferone ()-isolated of the roots from . The investigation by light and scanning electron microscopy of the structures of secretory canals found different chemical compositions in the various types of secretory canals which present in the aerial parts, fruits and flowers. The canals, present in the aerial parts, are characterized by terpene hydrocarbons, while the secretory canals of roots, flowers and fruits include esters. Novel data of a comparative study on essential oils constituents of aerial parts, roots, flowers and fruits of has been presented. The roots and fruits extract showed a high content of total phenolics and antioxidant activity. The GC-FID and GC-MS analysis revealed that the main components of the aerial parts, roots, flowers and fruits extracts were octanol (8.8%), octyl octanoate (7.6%), octyl acetate (7.3%); -pinocarvyl acetate (26.7%), β-pinene (8.9%); octyl acetate (19.9%), -menth-2-en-1-ol (4.6%); octyl acetate (81.6%), and ()-4-octenyl acetate (5.1%). The dichloromethane fraction of fruit and flower essential oil was characterized by the highest phenolics level and antioxidant activity. The dichloromethane fraction of fruit had the best inhibition against butyrylcholinesterase enzyme (82.27 ± 1.97%) which was higher then acetylcholinesterase inhibition (61.09 ± 4.46%) of umbelliferone. This study shows that the flowers and fruit of can be a new potential resource of natural antioxidant and anticholinesterase compounds.

摘要

香豆素和精油是伞形科和属的主要成分。本研究报告了从分离的根的地上部分、根、花、果实和香豆素-bergapten()、imperatorin()、pimpinellin()和umbelliferone()中提取的物质以及精油的抗胆碱酯酶和抗氧化活性。通过对分泌道结构的光镜和扫描电子显微镜观察,发现不同类型的分泌道在地上部分、果实和花朵中具有不同的化学成分。存在于地上部分的分泌道的特征是萜类碳氢化合物,而根、花和果实的分泌道则包括酯类。本文还首次报道了对 的地上部分、根、花和果实的精油成分进行了比较研究。根和果实提取物表现出高含量的总酚类物质和抗氧化活性。GC-FID 和 GC-MS 分析表明,地上部分、根、花和果实提取物的主要成分是辛醇(8.8%)、辛基辛酸酯(7.6%)、辛基乙酸酯(7.3%);-松油烯基乙酸酯(26.7%)、β-蒎烯(8.9%);辛基乙酸酯(19.9%)、-薄荷-2-烯-1-醇(4.6%);辛基乙酸酯(81.6%)和()-4-辛烯基乙酸酯(5.1%)。果实和花精油的二氯甲烷馏分具有最高的酚类水平和抗氧化活性。果实的二氯甲烷馏分对丁酰胆碱酯酶的抑制作用最好(82.27±1.97%),高于 umbelliferone 对乙酰胆碱酯酶的抑制作用(61.09±4.46%)。本研究表明, 花和果实可能是天然抗氧化和抗胆碱酯酶化合物的新潜在资源。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/860b/6412260/bd9c47b092a0/molecules-24-00722-g001.jpg

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