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首页> 外文期刊>RSC Advances >Anti-choline esterase activity of ceramides from the Red Sea marine sponge Mycale euplectellioides
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Anti-choline esterase activity of ceramides from the Red Sea marine sponge Mycale euplectellioides

机译：来自红海海洋海绵宫甲胺矿麦片脲酰亚胺脲酰亚胺的抗胆碱酯酶活性

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摘要

The isolation and structure elucidation of new phytoceramides from a methanolic extract of the Red Sea sponge Mycale euplectellioides was exclusively studied. Structure elucidation was achieved using spectroscopic techniques, including 1D and 2D NMR and HRMS. The anti-choline esterase activity of the isolated ceramides was evaluated in vitro using a microplate-based Ellman’s assay. Bioassay guided isolation led to the isolation of a MEC-1 phytoceramide molecular species; further purification of MEC-1 afforded three pure phytoceramides: MEC-1-4, MEC-1-7 and MEC-1-8. Molecular modeling studies using glide docking showed tight binding of the ceramides to acetylcholine esterase (AChE). The ceramides showed a better docking score and glide Emodel value when compared to known AChE inhibitors. The ceramides interacted with an aromatic residue of the peripheral anionic site and penetrated deeply into the catalytic triad residues of the active site. Overall, the ceramides obtained using the approaches described here could be considered as promising lead compounds for the discovery and design of potent anti-choline esterase drug candidates, which would be used for Alzheimer’s eradication.
机译：从红海海绵麦克酸麦片脲酰基脲酰基脲酰亚胺的甲醇提取物中阐明新植物酰胺的分离和结构被专门研究。使用光谱技术实现结构阐明，包括1D和2D NMR和HRMS。使用基于微孔板的Ellman的测定，在体外评估分离的神经酰胺的抗胆碱酯酶活性。生物测定引导隔离导致MEC-1植物胺分子物种的分离;进一步纯化MEC-1，得到三种纯植物胺：MEC-1-4，MEC-1-7和MEC-1-8。使用滑动对接的分子建模研究显示酰胺与乙酰胆碱酯酶（ACHE）的紧密结合。与已知的ACHE抑制剂相比，透明酰胺显示出更好的对接得分和滑动发光值。该酰胺与外周阴离子部位的芳族残基相互作用，深入渗透到活性位点的催化性三合会残留物中。总的来说，使用此处所描述的方法获得的酰胺可以被认为是有效的铅化合物，用于发现和设计有效的抗胆碱酯酶药物候选物，其将用于阿尔茨海默氏症的根除。

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