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RNA Hydrolysis by Heterocyclic Amidines and Guanidines: Parameters Affecting Reactivity
European Journal of Organic Chemistry  (IF3.021),  Pub Date : 2021-09-16, DOI: 10.1002/ejoc.202100950
Friederike Danneberg, Hauke Westemeier, Philip Horx, Felix Zellmann, Kathrin Dörr, Elisabeth Kalden, Mirco Zeiger, Abdullah Akpinar, Robert Berger, Michael W. Göbel

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.