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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...

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Detalles Bibliográficos
Autores principales: Krishnamoorthy, Ganeshkumar, Alluvada, Prashanth, Alemayehu, Esayas, Mohammed Sherieff, Shahul Hameed, Addi, Wasihun A., Kwa, Timothy, Krishnamoorthy, Janarthanan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2018
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
Descripción
Sumario:[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.