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http://hdl.handle.net/10637/14212
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DC Field | Value | Language |
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dc.contributor.other | Producción Científica UCH 2022 | - |
dc.contributor.other | UCH. Departamento de Farmacia | - |
dc.contributor.other | UCH. Departamento de Matemáticas, Física y Ciencias Tecnológicas | - |
dc.contributor.other | UCH. ESI International Chair@CEU-UCH | - |
dc.creator | Bueso Bordils, José Ignacio | - |
dc.creator | Antón Fos, Gerardo Manuel | - |
dc.creator | Falcó Montesinos, Antonio | - |
dc.creator | Duart Duart, María José | - |
dc.creator | Martín Algarra, Rafael Vicente | - |
dc.creator | Alemán López, Pedro | - |
dc.date | 2022 | - |
dc.date.accessioned | 2023-05-04T04:00:19Z | - |
dc.date.available | 2023-05-04T04:00:19Z | - |
dc.date.issued | 2022-01-20 | - |
dc.identifier.citation | Bueso-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.issn | 1424-8247 (Electrónico) | - |
dc.identifier.uri | http://hdl.handle.net/10637/14212 | - |
dc.description | Este artículo se encuentra disponible en la siguiente URL: https://www.mdpi.com/1424-8247/15/2/122 | - |
dc.description | Este artículo de investigación pertenece al número especial "The Prediction of Pharmacokinetics/Pharmacodynamics Using In-Silico Modeling". | - |
dc.description.abstract | Currently, 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.format | application/pdf | - |
dc.language | es | - |
dc.language.iso | en | - |
dc.publisher | MDPI | - |
dc.relation | Este 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.relation | UCH. Financiación Universidad | - |
dc.relation.ispartof | Pharmaceuticals, vol. 15, i. 2 (20 jan. 2022) | - |
dc.rights | http://creativecommons.org/licenses/by/4.0/deed.es | - |
dc.subject | Biología molecular - Modelos matemáticos. | - |
dc.subject | Topología - Aplicaciones en bioquímica. | - |
dc.subject | Topology in biochemistry. | - |
dc.subject | Quinolone antibacterial agents - Mathematical models. | - |
dc.subject | Farmacocinética - Modelos matemáticos. | - |
dc.subject | Quinolonas - Modelos matemáticos. | - |
dc.subject | Molecular biology - Mathematical models. | - |
dc.subject | Quinolonas - Farmacocinética. | - |
dc.subject | Quinolone antibacterial agents - Pharmacokinetics. | - |
dc.subject | Antibióticos - Modelos matemáticos. | - |
dc.subject | Antibiotics - Mathematical models. | - |
dc.title | New pharmacokinetic and microbiological prediction equations to be used as models for the search of antibacterial drugs | - |
dc.type | Artículo | - |
dc.identifier.doi | https://doi.org/10.3390/ph15020122 | - |
dc.relation.projectID | BC/ICB-Santander 05/12 | - |
dc.relation.projectID | BC/ICB-Santander 06/12 | - |
dc.centro | Universidad Cardenal Herrera-CEU | - |
Appears in Collections: | Dpto. Farmacia |
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