Complexation of water-soluble phosphorylated calixarenes with uracils. Stability constants and DFT study of the supramolecular complexes
作者:O.I. Kalchenko、A.B. Rozhenko、S.O. Cherenok、A.I. Selikhova、S.Yu. Suikov、A.A. Kyrylchuk、V.I. Kalchenko
DOI:10.1007/s10847-023-01198-x
日期:2023.10
nano-sized water-soluble calixarenes that form supramolecular complexes with uracils, including active pharmaceutical ingredients of 5-Fluorouracil and 5-Methyluracil drugs. Stability constants of the formed complexes in an aqueous-organic medium were determined by the HPLC method. The most favored structures of the calixarenes and their uracil complexes were optimized at the DFT level of approximation. In
用亲水性氧化膦基团或次膦酸基团对亲脂性锥形四丙氧基杯[4]芳烃的上边缘进行修饰,得到纳米尺寸的水溶性杯芳烃,其与尿嘧啶形成超分子复合物,其中活性药物成分为5-氟尿嘧啶和5 - 甲基尿嘧啶药物。通过 HPLC 方法测定水-有机介质中形成的复合物的稳定性常数。最受青睐的杯芳烃及其尿嘧啶配合物的结构在 DFT 近似水平上进行了优化。在所有加合物中最受欢迎的结构中,尿嘧啶分子通过氢键与杯芳烃配体上边缘的含磷基团配位。