Log D analysis using dynamic approach
Log D the logarithm (log10) of the distribution coefficient (D), 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...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2018-12-01
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| Series: | Biochemistry and Biophysics Reports |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2405580818300839 |
| _version_ | 1818872552372568064 |
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| author | Ganeshkumar Krishnamoorthy Prashanth Alluvada Esayas Alemayehu Shahul Hameed Mohammed Sherieff Wasihun A. Addi Timothy Kwa Janarthanan Krishnamoorthy |
| author_facet | Ganeshkumar Krishnamoorthy Prashanth Alluvada Esayas Alemayehu Shahul Hameed Mohammed Sherieff Wasihun A. Addi Timothy Kwa Janarthanan Krishnamoorthy |
| author_sort | Ganeshkumar Krishnamoorthy |
| collection | DOAJ |
| description | Log D the logarithm (log10) of the distribution coefficient (D), 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 pH 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. Keywords: Dynamic approach, Log D analysis, Monoprotic, Diprotic, Mono alkaline, Amphoteric, Salt effect, Solvent effect, Diamino-monoprotic molecules |
| first_indexed | 2024-12-19T12:40:37Z |
| format | Article |
| id | doaj.art-ca795dd6d5c0422d959f1444f893e4cd |
| institution | Directory Open Access Journal |
| issn | 2405-5808 |
| language | English |
| last_indexed | 2024-12-19T12:40:37Z |
| publishDate | 2018-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Biochemistry and Biophysics Reports |
| spelling | doaj.art-ca795dd6d5c0422d959f1444f893e4cd2022-12-21T20:20:59ZengElsevierBiochemistry and Biophysics Reports2405-58082018-12-0116111Log D analysis using dynamic approachGaneshkumar Krishnamoorthy0Prashanth Alluvada1Esayas Alemayehu2Shahul Hameed Mohammed Sherieff3Wasihun A. Addi4Timothy Kwa5Janarthanan Krishnamoorthy6Curtiss-Wright Avionics and Electronics, Dublin 14, IrelandDepartment of Bio-medical Engineering, Jimma Institute of Technology, Jimma University, EthiopiaDepartment of Civil & Environmental Engineering, Jimma Institute of Technology, Jimma University, EthiopiaSchool of life-sciences, B S Abdur Rahman Crescent institute of Science and Technology, Chennai, Tamil Nadu, IndiaDepartment of Bio-medical Engineering, Jimma Institute of Technology, Jimma University, EthiopiaDepartment of Bio-medical Engineering, Jimma Institute of Technology, Jimma University, EthiopiaDepartment of Bio-medical Engineering, Jimma Institute of Technology, Jimma University, Ethiopia; Corresponding author.Log D the logarithm (log10) of the distribution coefficient (D), 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 pH 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. Keywords: Dynamic approach, Log D analysis, Monoprotic, Diprotic, Mono alkaline, Amphoteric, Salt effect, Solvent effect, Diamino-monoprotic moleculeshttp://www.sciencedirect.com/science/article/pii/S2405580818300839 |
| spellingShingle | Ganeshkumar Krishnamoorthy Prashanth Alluvada Esayas Alemayehu Shahul Hameed Mohammed Sherieff Wasihun A. Addi Timothy Kwa Janarthanan Krishnamoorthy Log D analysis using dynamic approach Biochemistry and Biophysics Reports |
| 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 |
| url | http://www.sciencedirect.com/science/article/pii/S2405580818300839 |
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