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dc.contributor.author
Velo Gala, Inmaculada  
dc.contributor.author
Barceló Oliver, Miquel  
dc.contributor.author
Gil, Diego Mauricio  
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González Pérez, Josefa M.  
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Castiñeiras, Alfonso  
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Domínguez Martín, Alicia  
dc.date.available
2021-12-06T16:01:16Z  
dc.date.issued
2021-03  
dc.identifier.citation
Velo Gala, Inmaculada; Barceló Oliver, Miquel; Gil, Diego Mauricio; González Pérez, Josefa M.; Castiñeiras, Alfonso; et al.; Deciphering the H-Bonding Preference on Nucleoside Molecular Recognition through Model Copper(II) Compounds; MDPI; Pharmaceuticals; 14; 3; 3-2021; 1-16  
dc.identifier.issn
1424-8247  
dc.identifier.uri
http://hdl.handle.net/11336/148296  
dc.description.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 syn-thesized 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 ther-mogravimetric 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.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
MDPI  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by/2.5/ar/  
dc.subject
ACYCLOVIR  
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DFT  
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H-BONDS  
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MOLECULAR RECOGNITION  
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NON-COVALENT INTERACTIONS  
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Química Orgánica  
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Ciencias Químicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Deciphering the H-Bonding Preference on Nucleoside Molecular Recognition through Model Copper(II) Compounds  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2021-07-01T13:51:36Z  
dc.identifier.eissn
1424-8247  
dc.journal.volume
14  
dc.journal.number
3  
dc.journal.pagination
1-16  
dc.journal.pais
Suiza  
dc.journal.ciudad
Lausana  
dc.description.fil
Fil: Velo Gala, Inmaculada. Universidad de Porto; Portugal  
dc.description.fil
Fil: Barceló Oliver, Miquel. Universidad de las Islas Baleares; España  
dc.description.fil
Fil: Gil, Diego Mauricio. Universidad Nacional de Tucumán. Instituto de Biotecnología Farmacéutica y Alimentaria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Biotecnología Farmacéutica y Alimentaria; Argentina. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química Orgánica; Argentina  
dc.description.fil
Fil: González Pérez, Josefa M.. Universidad de Granada; España  
dc.description.fil
Fil: Castiñeiras, Alfonso. Universidad de Santiago de Compostela; España  
dc.description.fil
Fil: Domínguez Martín, Alicia. Universidad de Granada; España  
dc.journal.title
Pharmaceuticals  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.3390/ph14030244  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.mdpi.com/1424-8247/14/3/244