Literature DB >> 15684531

Prediction of solubility of drugs by conductor-like screening model for real solvents.

Hirotaka Ikeda1, Kouji Chiba, Atsushi Kanou, Noriaki Hirayama.   

Abstract

The solubility of drugs in solvents is fundamentally important for drug development and manufacturing. As the experimental measurements of the solubility are extremely laborious tasks, reliable prediction methods are highly required. We have employed the conductor-like screening model for real solvents (COSMO-RS) in predicting the solubility of drugs and drug-like compounds in various solvent systems. We also evaluated the salt effect on the solubility of caffeine using this method. The present results demonstrated that COSMO-RS has reasonably reproduced the experimental data and have proved that this method is generally available in predicting the solubility of drugs.

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Year:  2005        PMID: 15684531     DOI: 10.1248/cpb.53.253

Source DB:  PubMed          Journal:  Chem Pharm Bull (Tokyo)        ISSN: 0009-2363            Impact factor:   1.645


  2 in total

Review 1.  Recent progress in the computational prediction of aqueous solubility and absorption.

Authors:  Stephen R Johnson; Weifan Zheng
Journal:  AAPS J       Date:  2006-02-03       Impact factor: 4.009

2.  Prediction of partition and distribution coefficients in various solvent pairs with COSMO-RS.

Authors:  Sofja Tshepelevitsh; Kertu Hernits; Ivo Leito
Journal:  J Comput Aided Mol Des       Date:  2018-05-30       Impact factor: 3.686

  2 in total

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