Please use this identifier to cite or link to this item: http://hdl.handle.net/10637/14212
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dc.contributor.otherProducción Científica UCH 2022-
dc.contributor.otherUCH. Departamento de Farmacia-
dc.contributor.otherUCH. Departamento de Matemáticas, Física y Ciencias Tecnológicas-
dc.contributor.otherUCH. ESI International Chair@CEU-UCH-
dc.creatorBueso Bordils, José Ignacio-
dc.creatorAntón Fos, Gerardo Manuel-
dc.creatorFalcó Montesinos, Antonio-
dc.creatorDuart Duart, María José-
dc.creatorMartín Algarra, Rafael Vicente-
dc.creatorAlemán López, Pedro-
dc.date2022-
dc.date.accessioned2023-05-04T04:00:19Z-
dc.date.available2023-05-04T04:00:19Z-
dc.date.issued2022-01-20-
dc.identifier.citationBueso-Bordils, J. I., Antón-Fos, G. M., Falcó, A., Duart, M. J., Martín-Algarra, R. & Alemán-López, P. A. (2022). New pharmacokinetic and microbiological prediction equations to be used as models for the search of antibacterial drugs. Pharmaceuticals, vol. 15, i. 2 (20 jan.), art. 122. DOI: https://doi.org/10.3390/ph15020122-
dc.identifier.issn1424-8247 (Electrónico)-
dc.identifier.urihttp://hdl.handle.net/10637/14212-
dc.descriptionEste artículo se encuentra disponible en la siguiente URL: https://www.mdpi.com/1424-8247/15/2/122-
dc.descriptionEste artículo de investigación pertenece al número especial "The Prediction of Pharmacokinetics/Pharmacodynamics Using In-Silico Modeling".-
dc.description.abstractCurrently, the development of resistance of Enterobacteriaceae bacteria is one of the most important health problems worldwide. Consequently, there is a growing urge for finding new compounds with antibacterial activity. Furthermore, it is very important to find antibacterial compounds with a good pharmacokinetic profile too, which will lead to more efficient and safer drugs. In this work, we have mathematically described a series of antibacterial quinolones by means of molecular topology. We have used molecular descriptors and related them to various pharmacological properties by using multilinear regression (MLR) analysis. The regression functions selected by presenting the best combination of a number of quality and validation metrics allowed for the reliable prediction of clearance (CL), and minimum inhibitory concentration 50 against Enterobacter aerogenes (MIC50Ea) and Proteus mirabilis (MIC50Pm). The obtained results clearly reveal that the combination of molecular topology methods and MLR provides an excellent tool for the prediction of pharmacokinetic properties and microbiological activities in both new and existing compounds with different pharmacological activities.-
dc.formatapplication/pdf-
dc.languagees-
dc.language.isoen-
dc.publisherMDPI-
dc.relationEste artículo de investigación ha sido financiado por la ESI InternationalChair@CEU-UCH y por las becas concedias a José I. Bueso Bordils por el Instituto de Ciencias Biomédicas de la Universidad CEU-Cardenal Herrera (BC/ICB-Santander 05/12 y BC/ICB-Santander 06/12).-
dc.relationUCH. Financiación Universidad-
dc.relation.ispartofPharmaceuticals, vol. 15, i. 2 (20 jan. 2022)-
dc.rightshttp://creativecommons.org/licenses/by/4.0/deed.es-
dc.subjectBiología molecular - Modelos matemáticos.-
dc.subjectTopología - Aplicaciones en bioquímica.-
dc.subjectTopology in biochemistry.-
dc.subjectQuinolone antibacterial agents - Mathematical models.-
dc.subjectFarmacocinética - Modelos matemáticos.-
dc.subjectQuinolonas - Modelos matemáticos.-
dc.subjectMolecular biology - Mathematical models.-
dc.subjectQuinolonas - Farmacocinética.-
dc.subjectQuinolone antibacterial agents - Pharmacokinetics.-
dc.subjectAntibióticos - Modelos matemáticos.-
dc.subjectAntibiotics - Mathematical models.-
dc.titleNew pharmacokinetic and microbiological prediction equations to be used as models for the search of antibacterial drugs-
dc.typeArtículo-
dc.identifier.doihttps://doi.org/10.3390/ph15020122-
dc.relation.projectIDBC/ICB-Santander 05/12-
dc.relation.projectIDBC/ICB-Santander 06/12-
dc.centroUniversidad Cardenal Herrera-CEU-
Appears in Collections:Dpto. Farmacia




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