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Log D analysis using dynamic approach
[Formula: see text] the logarithm ([Formula: see text]) of the distribution coefficient ([Formula: see text]), is one of the important parameters used in Lipinski's rule to assess the druggability of a molecule in pharmaceutical formulations. The distribution of a molecule between a hydrophobic...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6126412/ https://www.ncbi.nlm.nih.gov/pubmed/30197931 http://dx.doi.org/10.1016/j.bbrep.2018.07.006 |
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author | Krishnamoorthy, Ganeshkumar Alluvada, Prashanth Alemayehu, Esayas Mohammed Sherieff, Shahul Hameed Addi, Wasihun A. Kwa, Timothy Krishnamoorthy, Janarthanan |
author_facet | Krishnamoorthy, Ganeshkumar Alluvada, Prashanth Alemayehu, Esayas Mohammed Sherieff, Shahul Hameed Addi, Wasihun A. Kwa, Timothy Krishnamoorthy, Janarthanan |
author_sort | Krishnamoorthy, Ganeshkumar |
collection | PubMed |
description | [Formula: see text] the logarithm ([Formula: see text]) of the distribution coefficient ([Formula: see text]), is one of the important parameters used in Lipinski's rule to assess the druggability of a molecule in pharmaceutical formulations. The distribution of a molecule between a hydrophobic organic phase and an aqueous buffer phase is influenced by the [Formula: see text] of the buffer system. In this work, we used both the conventional algebraic method and the generalized ‘dynamic’ approach to model the distribution coefficient of amphoteric, diamino-monoprotic molecule and monoprotic acid in the presence of salt or co-solvent. We have shown the equivalence of these methods by analysing the recently reported experimental data of amphoteric molecules such as nalidixic acid, mebendazole, benazepril and telmisartan. |
format | Online Article Text |
id | pubmed-6126412 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | Elsevier |
record_format | MEDLINE/PubMed |
spelling | pubmed-61264122018-09-07 Log D analysis using dynamic approach Krishnamoorthy, Ganeshkumar Alluvada, Prashanth Alemayehu, Esayas Mohammed Sherieff, Shahul Hameed Addi, Wasihun A. Kwa, Timothy Krishnamoorthy, Janarthanan Biochem Biophys Rep Research Article [Formula: see text] the logarithm ([Formula: see text]) of the distribution coefficient ([Formula: see text]), is one of the important parameters used in Lipinski's rule to assess the druggability of a molecule in pharmaceutical formulations. The distribution of a molecule between a hydrophobic organic phase and an aqueous buffer phase is influenced by the [Formula: see text] of the buffer system. In this work, we used both the conventional algebraic method and the generalized ‘dynamic’ approach to model the distribution coefficient of amphoteric, diamino-monoprotic molecule and monoprotic acid in the presence of salt or co-solvent. We have shown the equivalence of these methods by analysing the recently reported experimental data of amphoteric molecules such as nalidixic acid, mebendazole, benazepril and telmisartan. Elsevier 2018-09-03 /pmc/articles/PMC6126412/ /pubmed/30197931 http://dx.doi.org/10.1016/j.bbrep.2018.07.006 Text en © 2018 Published by Elsevier B.V. http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). |
spellingShingle | Research Article Krishnamoorthy, Ganeshkumar Alluvada, Prashanth Alemayehu, Esayas Mohammed Sherieff, Shahul Hameed Addi, Wasihun A. Kwa, Timothy Krishnamoorthy, Janarthanan Log D analysis using dynamic approach |
title | Log D analysis using dynamic approach |
title_full | Log D analysis using dynamic approach |
title_fullStr | Log D analysis using dynamic approach |
title_full_unstemmed | Log D analysis using dynamic approach |
title_short | Log D analysis using dynamic approach |
title_sort | log d analysis using dynamic approach |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6126412/ https://www.ncbi.nlm.nih.gov/pubmed/30197931 http://dx.doi.org/10.1016/j.bbrep.2018.07.006 |
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