Literature DB >> 19882701

Thermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitors.

Andrew D Scott1, Chris Phillips, Alexander Alex, Maria Flocco, Andrew Bent, Amy Randall, Ronan O'Brien, Luminita Damian, Lyn H Jones.   

Abstract

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Year:  2009        PMID： 19882701     DOI： 10.1002/cmdc.200900386

Source DB:  PubMed          Journal:  ChemMedChem        ISSN： 1860-7179            Impact factor:   3.466


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  7 in total

1.  Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model.

Authors:  Krishna Ravindranathan; Julian Tirado-Rives; William L Jorgensen; Cristiano R W Guimarães
Journal:  J Chem Theory Comput       Date:  2011-11-14       Impact factor: 6.006

Review 2.  Thermodynamic studies for drug design and screening.

Authors:  Nichola C Garbett; Jonathan B Chaires
Journal:  Expert Opin Drug Discov       Date:  2012-03-08       Impact factor: 6.098

3.  Computational Prediction of the Binding Pose of Metal-Binding Pharmacophores.

Authors:  Johannes Karges; Ryjul W Stokes; Seth M Cohen
Journal:  ACS Med Chem Lett       Date:  2022-02-24       Impact factor: 4.345

4.  Carbon- versus sulphur-based zinc binding groups for carbonic anhydrase inhibitors?

Authors:  Claudiu T Supuran
Journal:  J Enzyme Inhib Med Chem       Date:  2018-12       Impact factor: 5.051

5.  Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.

Authors:  Audrius Zakšauskas; Edita Čapkauskaitė; Vaida Paketurytė-Latvė; Alexey Smirnov; Janis Leitans; Andris Kazaks; Elviss Dvinskis; Laimonas Stančaitis; Aurelija Mickevičiūtė; Jelena Jachno; Linas Jezepčikas; Vaida Linkuvienė; Andrius Sakalauskas; Elena Manakova; Saulius Gražulis; Jurgita Matulienė; Kaspars Tars; Daumantas Matulis
Journal:  Int J Mol Sci       Date:  2021-12-23       Impact factor: 5.923

6.  Computational Calorimetry: High-Precision Calculation of Host-Guest Binding Thermodynamics.

Authors:  Niel M Henriksen; Andrew T Fenley; Michael K Gilson
Journal:  J Chem Theory Comput       Date:  2015-09-08       Impact factor: 6.006

7.  The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.

Authors:  Steffen Glöckner; Khang Ngo; Björn Wagner; Andreas Heine; Gerhard Klebe
Journal:  Biomolecules       Date:  2020-03-27
  7 in total

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