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An Eco-Friendly Technique: Solvent-Free Microwave Synthesis and Docking Studies of Some New Pyridine Nucleosides and Their Pharmacological Significance

机译:一种环保技术:一些新型吡啶核苷的无溶剂微波合成和对接研究及其药理学意义

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摘要

Two series of novel 5-arylazo-3-cyano-2-(2″,3″,4″,6″-tetra-O-acetyl-β-d-galacto pyranosyloxy) pyridines and 3-cyano-2-(2″,3″,4″,6″-tetra-O-acetyl-β-d-galactopyranosyloxy) pyridines were synthesized in high yields utilizing a microwave-assisted synthesis tool guided by the principles of green chemistry. The chemical structures of the new substances were confirmed on the basis of their elemental analysis and spectroscopic data (FT-IR, 1D, 2D-NMR). Activity against different bacterial strains was studied. The anticancer potential of the new compounds is also discussed. Molecular docking was used as a tool in this research work to get better insight into the possible interactions, affinities, and expected modes of binding of the most promising derivatives of the potential chemotherapeutic target (DHFR).
机译:两个系列的新型5-芳基偶氮-3-氰基-2-(2″,3″,4″,6″-四-O-乙酰基-β-d-半乳糖吡喃糖基氧基)吡啶和3-氰基-2-(2利用绿色化学原理指导的微波辅助合成工具以高收率合成了“,3”,4“,6”-四-O-乙酰基-β-d-吡喃半乳糖基氧基)吡啶。根据其元素分析和光谱数据(FT-IR,1D,2D-NMR)确定了新物质的化学结构。研究了针对不同细菌菌株的活性。还讨论了新化合物的抗癌潜力。在这项研究工作中,分子对接被用作一种工具,以更好地了解潜在化疗靶标(DHFR)的最有希望的衍生物之间可能的相互作用,亲和力和预期的结合方式。

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