@misc{10481/68169,
year = {2021},
month = {3},
url = {http://hdl.handle.net/10481/68169},
abstract = {The synthetic nucleoside acyclovir is considered an outstanding model of the natural nucleoside guanosine. With the purpose of deepening on the influence and nature of non-covalent interactions regarding molecular recognition patterns, three novel Cu(II) complexes, involving acyclovir (acv) and the ligand receptor N-(2-hydroxyethyl)ethylenediamine (hen), have been synthesized and thoroughly characterized. The three novel compounds introduce none, one or two acyclovir molecules, respectively. Molecular recognition has been evaluated using single crystal X-ray diffraction. Furthermore, theoretical calculations and other physical methods such as thermogravimetric analysis, infrared and UV-Vis spectroscopy, electron paramagnetic resonance and magnetic measurements have been used. Theoretical calculations are in line with experimental results, supporting the relevance of the [metal-N7(acv) + H-bond] molecular recognition pattern. It was also shown that (hen)O-H group is used as preferred H-donor when it is found within the basal coordination plane, since the higher polarity of the terminal (hen)O-H versus the N-H group favours its implication. Otherwise, when (hen)O-H occupies the distal coordination site, (hen)N-H groups can take over.},
organization = {Agencia Estatal de Investigacion, Ministerio de Ciencia, Innovacion y Universidades (MICIU) from Spain},
organization = {European Commission

PGC2018-102047-B-I00
CTQ2017-85821-R},
organization = {Junta de Andalucia

FQM-283},
organization = {University of Granada 

PPJIA2019-03},
publisher = {MDPI},
keywords = {Acyclovir},
keywords = {Molecular recognition},
keywords = {DFT},
keywords = {Non-covalent interactions},
keywords = {H-bonds},
title = {Deciphering the H-Bonding Preference on Nucleoside Molecular Recognition through Model Copper(II) Compounds},
doi = {10.3390/ph14030244},
author = {Velo Gala, Inmaculada and González Pérez, Josefa María and Domínguez Martín, Alicia},
}