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RNA Hydrolysis by Heterocyclic Amidines and Guanidines: Parameters Affecting Reactivity
European Journal of Organic Chemistry ( IF 2.5 ) Pub Date : 2021-09-16 , DOI: 10.1002/ejoc.202100950
Friederike Danneberg 1 , Hauke Westemeier 2 , Philip Horx 2 , Felix Zellmann 3 , Kathrin Dörr 3 , Elisabeth Kalden 3 , Mirco Zeiger 3 , Abdullah Akpinar 3 , Robert Berger 4 , Michael W. Göbel 5
Affiliation  

Heterocyclic amidines and guanidines have been tested as RNA cleaving catalysts, which led to the identification of potent candidates. Besides pKa values and steric effects, the energy difference between tautomeric forms seems to be one of the relevant parameters, accessible by computational methods on different levels of sophistication. The fast semi-empirical AM1-method was found sufficient to provide qualitative to semi-quantitative estimates of corresponding trends.
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中文翻译:

杂环脒和胍的 RNA 水解:影响反应性的参数

杂环脒和胍已作为 RNA 裂解催化剂进行了测试,从而确定了有效的候选物。除了 p K a值和空间效应外,互变异构形式之间的能量差异似乎是相关参数之一,可通过不同复杂程度的计算方法获得。发现快速半经验 AM1 方法足以提供相应趋势的定性到半定量估计。
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更新日期:2021-09-16
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