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

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.