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dc.contributor.otherProducción Científica UCH 2019-
dc.contributor.otherUCH. Departamento de Matemáticas, Física y Ciencias Tecnológicas-
dc.contributor.otherUCH. Departamento de Farmacia-
dc.creatorSuay García, Beatriz-
dc.creatorAlemán López, Pedro-
dc.creatorBueso Bordils, José Ignacio-
dc.creatorFalcó Montesinos, Antonio-
dc.creatorPérez Gracia, María Teresa.-
dc.creatorAntón Fos, Gerardo Manuel-
dc.date2019-
dc.date.accessioned2020-09-10T04:00:10Z-
dc.date.available2020-09-10T04:00:10Z-
dc.date.issued2019-10-01-
dc.identifier.citationSuay García, B., Alemán-López , P., Bueso-Bordils, JI., Falcó, A., Pérez-Gracia, MT. & Antón-Fos, GM. (2019). Topological index Nclass as a factor determining the antibacterial activity of quinolones against Escherichia coli. Future Medicinal Chemistry, vol. 11, n. 17 (oct.), pp. 2255-2262 . DOI: https://doi.org/10.4155/fmc-2019-0073-
dc.identifier.issn1756-8919-
dc.identifier.issn1756-8927 (Electrónico)-
dc.identifier.urihttp://hdl.handle.net/10637/11646-
dc.descriptionEste artículo se encuentra disponible en la página web de la revista en la siguiente URL: https://www.future-science.com/doi/10.4155/fmc-2019-0073-
dc.descriptionEste es el pre-print del siguiente artículo: Suay García, B., Alemán-López , P., Bueso-Bordils, JI., Falcó, A., Pérez-Gracia, MT. & Antón-Fos, GM. (2019). Topological index Nclass as a factor determining the antibacterial activity of quinolones against Escherichia coli. Future Medicinal Chemistry, vol. 11, n. 17 (oct.), pp. 2255-2262 que se ha publicado de forma definitiva en https://doi.org/10.4155/fmc-2019-0073-
dc.descriptionThis is the pre-peer reviewed version of the following article: Suay García, B., Alemán-López , P., Bueso-Bordils, JI., Falcó, A., Pérez-Gracia, MT. & Antón-Fos, GM. (2019). Topological index Nclass as a factor determining the antibacterial activity of quinolones against Escherichia coli. Future Medicinal Chemistry, vol. 11, n. 17 (oct.), pp. 2255-2262, which has been published in final form at https://doi.org/10.4155/fmc-2019-0073-
dc.description.abstractBackground: Due to antibiotic resistance and the lack of investment in antimicrobial R&D, QSAR methods appear as an ideal approach for the discovery of new antibiotics. Result/Methodology: Molecular topology and LDA were used to construct a model to predict activity against Escherichia coli. This model establishes new SARs, of which, molecular size and complexity (Nclass), stand out for their discriminant power. This model was used for the virtual screening of the Index Merck database, with results showing a high success rate as well as a moderate restriction. Conclusions: The model efficiently finds new active compounds. The topological index Nclass can act as a filter in other QSAR models predicting activity against E. coli.-
dc.formatapplication/pdf-
dc.language.isoen-
dc.publisherFuture Science.-
dc.relation.ispartofFuture Medicinal Chemistry, vol. 11, n. 17 (oct. 2019).-
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/4.0/deed.es-
dc.subjectDrug resistance in microorganisms - Mathematical models.-
dc.subjectPharmaceutical microbiology - Mathematical models.-
dc.subjectQuinolonas - Modelos matemáticos.-
dc.subjectFarmacología molecular - Modelos matemáticos.-
dc.subjectBiología molecular - Modelos matemáticos.-
dc.subjectMolecular biology - Mathematical models.-
dc.subjectEscherichia coli - Resistencia a los medicamentos - Modelos matemáticos.-
dc.subjectEscherichia coli - Drug resistance - Mathematical models.-
dc.subjectQuinolone antibacterial agents - Mathematical models.-
dc.subjectBacterias - Resistencia a los medicamentos - Modelos matemáticos.-
dc.subjectMolecular pharmacology - Mathematical models.-
dc.subjectMicrobiología farmacéutica - Modelos matemáticos.-
dc.titleTopological index Nclass as a factor determining the antibacterial activity of quinolones against Escherichia coli-
dc.typeArtículo-
dc.identifier.doihttps://doi.org/10.4155/fmc-2019-0073-
dc.centroUniversidad Cardenal Herrera-CEU-
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