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Compounds from the fruits of mangrove Sonneratia apetala: Isolation, molecular docking and antiaging effects using a Caenorhabditis elegans model.
Bioorganic Chemistry ( IF 4.5 ) Pub Date : 2020-04-02 , DOI: 10.1016/j.bioorg.2020.103813 Xiangxi Yi 1 , Shu Jiang 2 , Mei Qin 2 , Kai Liu 2 , Pei Cao 2 , Shimin Chen 3 , Jiagang Deng 4 , Chenghai Gao 2
Bioorganic Chemistry ( IF 4.5 ) Pub Date : 2020-04-02 , DOI: 10.1016/j.bioorg.2020.103813 Xiangxi Yi 1 , Shu Jiang 2 , Mei Qin 2 , Kai Liu 2 , Pei Cao 2 , Shimin Chen 3 , Jiagang Deng 4 , Chenghai Gao 2
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The chemical investigation of the fruits of a mangrove Sonneratia apetala collected from the Beibu Gulf led to the isolation of four new compounds, sonneradons A-D (1-4), as well as 18 known compounds (5-22). The structures of the new compounds were elucidated based on extensive spectroscopic analysis, and the structures of the known compounds were established by comparison of their spectroscopic data with those of related metabolites. The antiaging activities of all isolates were evaluated using the nematode Caenorhabditis elegans as a model organism. The results showed that 10 compounds could protect C. elegans by extending its lifespan. Compound 1 possessed the most potent effect in the anti-heat stress assay and significantly attenuated aging-related decreases in the pumping and bending of the nematodes in the healthspan assay. Molecular docking studies suggested that compound 1 was bound to the DNA binding domain of HSF-1 and promoted the conformation of HSF-1, thus strengthening the interaction between the HSF-1 and related DNA. GLN49, ASN-74, and LYS-80 of the binding region might be the key amino residues during the interaction.
中文翻译：
来自红树林无瓣海桑果实的化合物：使用秀丽隐杆线虫模型的分离，分子对接和抗衰老作用。
对从北部湾收集到的红树林无瓣海桑的果实进行化学研究后，分离出了四种新化合物，即海藻石（AD）（1-4）和18种已知化合物（5-22）。在广泛的光谱分析基础上阐明了新化合物的结构，并通过将其光谱数据与相关代谢产物的光谱数据进行比较，确定了已知化合物的结构。使用线虫秀丽隐杆线虫（Caenorhabditis elegans）作为模型生物评估了所有分离株的抗衰老活性。结果表明，有10种化合物可以通过延长其寿命来保护秀丽隐杆线虫。化合物1在抗热应激测定中具有最有效的作用，并且在健康跨度测定中显着减弱了与衰老相关的线虫泵浦和弯曲的减少。分子对接研究表明，化合物1与HSF-1的DNA结合域结合并促进了HSF-1的构象，从而加强了HSF-1与相关DNA之间的相互作用。结合区域的GLN49，ASN-74和LYS-80可能是相互作用过程中的关键氨基残基。
更新日期：2020-04-20
中文翻译：
来自红树林无瓣海桑果实的化合物：使用秀丽隐杆线虫模型的分离，分子对接和抗衰老作用。
对从北部湾收集到的红树林无瓣海桑的果实进行化学研究后，分离出了四种新化合物，即海藻石（AD）（1-4）和18种已知化合物（5-22）。在广泛的光谱分析基础上阐明了新化合物的结构，并通过将其光谱数据与相关代谢产物的光谱数据进行比较，确定了已知化合物的结构。使用线虫秀丽隐杆线虫（Caenorhabditis elegans）作为模型生物评估了所有分离株的抗衰老活性。结果表明，有10种化合物可以通过延长其寿命来保护秀丽隐杆线虫。化合物1在抗热应激测定中具有最有效的作用，并且在健康跨度测定中显着减弱了与衰老相关的线虫泵浦和弯曲的减少。分子对接研究表明，化合物1与HSF-1的DNA结合域结合并促进了HSF-1的构象，从而加强了HSF-1与相关DNA之间的相互作用。结合区域的GLN49，ASN-74和LYS-80可能是相互作用过程中的关键氨基残基。
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