Full metadata record
DC Field | Value | Language |
---|---|---|
dc.creator | Moreno-de-Viguri, E. (Elsa) | - |
dc.creator | Gabano, E. (Elisabetta) | - |
dc.creator | Platts, J.A. (James A.) | - |
dc.creator | Ravera, M. (Mauro) | - |
dc.creator | Aldana, I. (Ignacio) | - |
dc.creator | Monge, A. (Antonio) | - |
dc.creator | Pérez-Silanes, S. (Silvia) | - |
dc.date.accessioned | 2012-03-08T18:14:08Z | - |
dc.date.available | 2012-03-08T18:14:08Z | - |
dc.date.issued | 2011-09-13 | - |
dc.identifier.citation | Moreno E, Gabano E, Torres E, Platts JA, Ravera M, Aldana I, et al. Studies on log Po/w of quinoxaline di-N-oxides: A comparison of RP-HPLC experimental and predictive approaches. Molecules. 2011 Sep 13;16(9):7893-908. | es_ES |
dc.identifier.issn | 1420-3049 | - |
dc.identifier.uri | https://hdl.handle.net/10171/21042 | - |
dc.description.abstract | As reported in our previous papers, a series of quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives were synthesized and studied as anti-tuberculosis agents. Here, the capability of the shake-flask method was studied and the retention time (expressed as log K) of 20 compounds were determined by RP-HPLC analysis. We found that the prediction of log P by the RP-HPLC analysis can result in a high accuracy and can replace the shake-flask method avoiding the experimental problems presented by quinoxaline di-N-oxides. The studied compounds were subjected to the ALOGPS module with the aim of comparing experimental log Po/w values and predicted data. Moreover, a preliminary in silico screening of the QSAR relationship was made confirming the influence of reduction peak potential, lipophilicity, H-bond donor capacity and molecular dimension descriptors on anti-tuberculosis activity. | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | MDPI | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.subject | Materias Investigacion::Ciencias de la Salud | es_ES |
dc.subject | Materias Investigacion::Química | es_ES |
dc.subject | HPLC | es_ES |
dc.subject | Lipophilicity | es_ES |
dc.subject | Log P | es_ES |
dc.subject | Quinoxalines | es_ES |
dc.subject | Tuberculosis | es_ES |
dc.title | Studies on LogP o/w of Quinoxaline di-N-osides: a comparison of RP-HPLC experimental and predictive approaches | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.relation.publisherversion | http://www.mdpi.com/1420-3049/16/9/7893/ | es_ES |
dc.type.driver | info:eu-repo/semantics/article | es_ES |
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