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荧光素标记的氨基己醇连接的肌醇六磷酸：关于[具体内容缺失]以及与2P1M受体对接的研究。

Fluoresceinated Aminohexanol Tethered Inositol Hexakisphosphate: Studies on and and Docking with 2P1M Receptor.

作者信息

Thakur Sujeet Kumar, Goswami Krishnendu, Rao Pallavi, Kaushik Shivam, Singh Bhanu Pratap, Kain Pinky, Asthana Shailendra, Bhattacharjee Saikat, Guchhait Prasenjit, Eswaran Sambasivan V

机构信息

TERI School of Advanced Studies, Plot No. 10, Vasant Kunj Institutional Area, Vasant Kunj, Institutional Area, New Delhi 110070, India.

Regional Centre for Biotechnology (RCB), NCR Biotech Science Cluster, 3rd Milestone, Faridabad-Gurgaon Expressway, Faridabad, 121001 Haryana, India.

出版信息

ACS Omega. 2020 Apr 13;5(16):9585-9597. doi: 10.1021/acsomega.0c00961. eCollection 2020 Apr 28.

DOI:10.1021/acsomega.0c00961
PMID:32363311
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7191843/
Abstract

Inositol hexakisphosphate (InsP; phytic acid) is considered as the second messenger and plays a very important role in plants, animals, and human beings. It is the principal storage form of phosphorus in many plant tissues, especially in dry fruits, bran, and seeds. The resulting anion is a colorless species that plays a critical role in nutrition and is believed to cure many diseases. A fluoresceinated aminohexanol tethered inositol hexakisphosphate () had been synthesized earlier involving many complicated steps. We describe here a simple two-step synthesis of () and its characterization using different techniques such as matrix-assisted laser desorption ionization mass spectrometry, tandem mass spectrometry, and Fourier transform infrared, ultraviolet-visible, ultraviolet-fluorescence, H nuclear magnetic resonance (NMR), and two-dimensional NMR spectroscopies. The effect of () has been investigated in the model systems, and . Using Schrodinger software, computational studies on the binding of () with the protein 2P1M (Auxin-receptor TIR1-adaptor ASK1 complex) has revealed strong binding propensity with this compound. These studies on the fluoresceinated tethered phytic acid could have far reaching implications on its efficacy for human health and treatment of diseases (cancer/tumor and glioblastoma) and for understanding phosphorous recycling in the environment, especially for plant systems.

摘要

肌醇六磷酸（InsP；植酸）被认为是第二信使，在植物、动物和人类中发挥着非常重要的作用。它是许多植物组织中磷的主要储存形式，尤其是在干果、麸皮和种子中。由此产生的阴离子是一种无色物质，在营养方面起着关键作用，并且被认为可以治愈多种疾病。一种连接了荧光素化氨基己醇的肌醇六磷酸（）此前已通过许多复杂步骤合成。我们在此描述一种简单的两步法合成（）及其使用不同技术的表征，如基质辅助激光解吸电离质谱、串联质谱、傅里叶变换红外光谱、紫外可见光谱、紫外荧光光谱、氢核磁共振（NMR）和二维NMR光谱。已在模型系统和中研究了（）的作用。使用薛定谔软件，对（）与蛋白质2P1M（生长素受体TIR1 - 衔接蛋白ASK1复合物）结合的计算研究表明该化合物具有很强的结合倾向。这些关于荧光素化连接植酸的研究可能对其对人类健康和疾病（癌症/肿瘤和胶质母细胞瘤）治疗的功效以及对理解环境中的磷循环，特别是对植物系统，具有深远影响。

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