Details

Autor(en) / Beteiligte

• Morelock, Maurice M.
• Choi, Louisa L.
• Bell, Gerald L.
• Wright, James L.

Titel

Estimation and Correlation of Drug Water Solubility with Pharmacological Parameters Required for Biological Activity

Ist Teil von

• Journal of pharmaceutical sciences, 1994-07, Vol.83 (7), p.948-952

Ort / Verlag

Washington: Elsevier Inc

Erscheinungsjahr

1994

Quelle

Wiley Online Library - AutoHoldings Journals

Beschreibungen/Notizen

• A procedure for estimating the molar water solubility (S) for a series of structurally related drug compounds is presented. HPLC methods for the determination of partition coefficients (P) are combined with semiempirical calculations forS. Multidimensional plots are developed with the physical constantsSandPalong thexandyaxes and with a biological response, e.g. IC50or ED50, along thezaxis. Other attributes, e.g. bioavailability or biodistribution, can be added by color coding, shading, or numbering. Since the methods have a high thoughput capability, parameters governing the events leading to pharmacological action [i.e. gastrointestinal dissolution (S), absorption (P), blood level (bioavailability), and biological action (IC50, EC50)] can be correlated for drug series comprising large numbers of compounds.