التفاصيل البيبلوغرافية
| العنوان: |
Studies on Log Po/w of Quinoxaline di-N-Oxides: A Comparison of RP-HPLC Experimental and Predictive Approaches |
| المؤلفون: |
James A. Platts, Antonio Monge, Ignacio Aldana, Mauro Ravera, Enrique Torres, Silvia Pérez-Silanes, Elisabetta Gabano, Elsa Moreno |
| المصدر: |
Molecules, Vol 16, Iss 9, Pp 7893-7908 (2011) |
| بيانات النشر: |
MDPI AG, 2011. |
| سنة النشر: |
2011 |
| المجموعة: |
LCC:Organic chemistry |
| مصطلحات موضوعية: |
HPLC, lipophilicity, log P, quinoxalines, Organic chemistry, QD241-441 |
| الوصف: |
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. |
| نوع الوثيقة: |
article |
| وصف الملف: |
electronic resource |
| اللغة: |
English |
| تدمد: |
1420-3049 |
| Relation: |
http://www.mdpi.com/1420-3049/16/9/7893/; https://doaj.org/toc/1420-3049 |
| DOI: |
10.3390/molecules16097893 |
| URL الوصول: |
https://doaj.org/article/7f8b8fbf33084cc1a23ea047a9274002 |
| رقم الانضمام: |
edsdoj.7f8b8fbf33084cc1a23ea047a9274002 |
| قاعدة البيانات: |
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