Literature DB >> 11472245

Rapid method for the estimation of octanol/water partition coefficient (log P(oct)) from gradient RP-HPLC retention and a hydrogen bond acidity term (zetaalpha(2)(H)).

K Valko1, C My Du, C Bevan, D P Reynolds, M H Abraham.   

Abstract

We propose a rapid method for the measurement of octanol/water partition coefficients (log P(oct)) via fast gradient reversed phase retention and the calculation of the hydrogen bond acidity of the compounds. The cycle time of the generic gradient HPLC method is 5 minutes. The general solvation equation obtained for the log Poct values and the fast gradient Chromatographic Hydrophobicity Indices with acetonitrile (CHI(ACN)) and methanol

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Year:  2001        PMID: 11472245     DOI: 10.2174/0929867013372643

Source DB:  PubMed          Journal:  Curr Med Chem        ISSN: 0929-8673            Impact factor:   4.530


  14 in total

1.  Water-oil partition profiling of ionized drug molecules using cyclic voltammetry and a 96-well microfilter plate system.

Authors:  Sorina M Ulmeanu; Henrik Jensen; Géraldine Bouchard; Pierre-Alain Carrupt; Hubert H Girault
Journal:  Pharm Res       Date:  2003-08       Impact factor: 4.200

2.  Retention-time prediction for polycyclic aromatic compounds in reversed-phase capillary electro-chromatography.

Authors:  Peter Feenstra; Heidrun Gruber-Wölfler; Michael Brunsteiner; Johannes Khinast
Journal:  J Mol Model       Date:  2015-04-24       Impact factor: 1.810

Review 3.  Physiologically Based Pharmacokinetic Modelling for First-In-Human Predictions: An Updated Model Building Strategy Illustrated with Challenging Industry Case Studies.

Authors:  Neil A Miller; Micaela B Reddy; Aki T Heikkinen; Viera Lukacova; Neil Parrott
Journal:  Clin Pharmacokinet       Date:  2019-06       Impact factor: 6.447

4.  [Effects of buffer salt types and non-counter ions of ion-pair reagents on the retention behavior of strongly ionized acid compounds in ion-pair reversed-phase liquid chromatography].

Authors:  Xiaolan Liu; Wei Gao; Chao Liang; Junqin Qiao; Kang Wang; Hongzhen Lian
Journal:  Se Pu       Date:  2021-09

5.  Identification via a Parallel Hit Progression Strategy of Improved Small Molecule Inhibitors of the Malaria Purine Uptake Transporter that Inhibit Plasmodium falciparum Parasite Proliferation.

Authors:  Yvett Sosa; Roman Deniskin; I J Frame; Matthew S Steiginga; Deepak Bandyopadhyay; Todd L Graybill; Lorena A Kallal; Michael T Ouellette; Andrew J Pope; Katherine L Widdowson; Robert J Young; Myles H Akabas
Journal:  ACS Infect Dis       Date:  2019-08-14       Impact factor: 5.084

6.  Development of functionally selective, small molecule agonists at kappa opioid receptors.

Authors:  Lei Zhou; Kimberly M Lovell; Kevin J Frankowski; Stephen R Slauson; Angela M Phillips; John M Streicher; Edward Stahl; Cullen L Schmid; Peter Hodder; Franck Madoux; Michael D Cameron; Thomas E Prisinzano; Jeffrey Aubé; Laura M Bohn
Journal:  J Biol Chem       Date:  2013-11-01       Impact factor: 5.157

7.  Estimating the Lipophilicity of Natural Products using a Polymeric Reversed Phase HPLC Method.

Authors:  Bo Zheng; Lyndon M West
Journal:  J Liq Chromatogr Relat Technol       Date:  2009-12-11       Impact factor: 1.312

8.  Stereoselective Inhibition of the hERG1 Potassium Channel.

Authors:  Liliana Sintra Grilo; Pierre-Alain Carrupt; Hugues Abriel
Journal:  Front Pharmacol       Date:  2010-11-22       Impact factor: 5.810

9.  Investigation of Hydro-Lipophilic Properties of N-Alkoxyphenylhydroxynaphthalenecarboxamides †.

Authors:  Iva Kapustikova; Andrzej Bak; Tomas Gonec; Jiri Kos; Violetta Kozik; Josef Jampilek
Journal:  Molecules       Date:  2018-07-04       Impact factor: 4.411

10.  Investigating biological activity spectrum for novel styrylquinazoline analogues.

Authors:  Josef Jampilek; Robert Musiol; Jacek Finster; Matus Pesko; James Carroll; Katarina Kralova; Marcela Vejsova; Jim O'Mahony; Aidan Coffey; Jiri Dohnal; Jaroslaw Polanski
Journal:  Molecules       Date:  2009-10-23       Impact factor: 4.411

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