Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors

Journal of Medicinal Chemistry

Volumn 60, Issue 13, 2017, Pages 5791-5799

  Cramer, Jonathan ^a   Krimmer, Stefan G ^a   Heine, Andreas ^a   Klebe, Gerhard ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; METALLOPROTEINASE INHIBITOR; THERMOLYSIN; THERMOLYSIN INHIBITOR; UNCLASSIFIED DRUG; ENZYME INHIBITOR;

ARTICLE; BINDING AFFINITY; BINDING SITE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DESOLVATION; DRUG CONFORMATION; DRUG PROTEIN BINDING; ENTHALPY; HYDROGEN BOND; HYDROPHOBICITY; ISOTHERMAL TITRATION CALORIMETRY; LIGAND BINDING; PROTON TRANSPORT; SOLUBILIZATION; SOLVATION; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY; ANTAGONISTS AND INHIBITORS; BACILLUS; CHEMISTRY; DRUG EFFECTS; ENZYMOLOGY; METABOLISM; SOLUBILITY;

BACILLUS; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; SOLUBILITY; THERMODYNAMICS; THERMOLYSIN;

EID: 85023759573     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.7b00490     Document Type: Article

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