dc.contributor.author |
Coll Parets, Miquel
|
|
dc.contributor.author |
Frau Munar, Juan
|
|
dc.contributor.author |
Vilanova Canet, Bartolomé
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|
dc.contributor.author |
Donoso Pardo, Josefa Laurentina
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|
dc.contributor.author |
Muñoz Izquierdo, Francisco
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|
dc.date.accessioned |
2018-11-22T12:50:42Z |
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dc.identifier.uri |
http://hdl.handle.net/11201/148585 |
|
dc.description.abstract |
[eng] Various electrostatic and structural parameters for a series of classical and non-classical β-lactams were determined and compared in order to ascertain whether some specific β-lactams possess antibacterial or β-lactamase inhibitory properties. The electrostatic parameters obtained, based on the Distributed Multipole Analysis (DMA) of highquality wavefunctions for the studied structures, suggest that some non-classical β-lactams effectively inhibit the action of β-lactamases. As shown in this work, such electrostatic parameters provide much more reliable information about the antibacterial and inhibitory properties of β-lactams than do structural parameters. |
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dc.format |
application/pdf |
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dc.relation.isformatof |
Versió postprint del document publicat a: https://doi.org/10.1023/A:1013123702720 |
|
dc.relation.ispartof |
Journal of Computer-Aided Molecular Design, 2001, vol. 15, p. 819-833 |
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dc.subject.classification |
54 - Química |
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dc.subject.other |
54 - Chemistry. Crystallography. Mineralogy |
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dc.title |
Electrostatic and structural similarity of classical and non-classical lactam compounds |
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dc.type |
info:eu-repo/semantics/article |
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dc.type |
info:eu-repo/semantics/acceptedVersion |
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dc.date.updated |
2018-11-22T12:50:43Z |
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dc.date.embargoEndDate |
info:eu-repo/date/embargoEnd/2075-01-01 |
|
dc.embargo |
2075-01-01 |
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dc.rights.accessRights |
info:eu-repo/semantics/embargoedAccess |
|
dc.identifier.doi |
https://doi.org/10.1023/A:1013123702720 |
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