title: Stereoselective binding of an enantiomeric pair of stromelysin-1 inhibitors caused by conformational entropy factors.
abstract: Isothermal titration calorimetry was used to analyze the binding of an enantiomeric pair of inhibitors to the stromelysin-1 catalytic domain. Differences in binding affinity are attributable to different conformational entropy penalties suffered upon binding. Two possible explanations for these differences are proposed.
authors.affiliation: University of Alabama at Birmingham, 35294, USA. matthew_parker@vpharm.com
authors.forename: M H
authors.initials: MH
authors.lastname: Parker
authors.forename: D F
authors.initials: DF
authors.lastname: Ortwine
authors.forename: P M
authors.initials: PM
authors.lastname: O'Brien
authors.forename: E A
authors.initials: EA
authors.lastname: Lunney
authors.forename: C A
authors.initials: CA
authors.lastname: Banotai
authors.forename: W T
authors.initials: WT
authors.lastname: Mueller
authors.forename: P
authors.initials: P
authors.lastname: McConnell
authors.forename: C G
authors.initials: CG
authors.lastname: Brouillette
mesh_terms: D002151:Calorimetry / Q000379:methods; D020134:Catalytic Domain; D006801:Humans; D006877:Hydroxamic Acids / Q000737:chemistry* / Q000378:metabolism*; D019278:Matrix Metalloproteinase 3 / Q000378:metabolism; D061965:Matrix Metalloproteinase Inhibitors; D008968:Molecular Conformation; D015394:Molecular Structure; D009842:Oligopeptides / Q000737:chemistry* / Q000378:metabolism*; D011480:Protease Inhibitors / Q000737:chemistry* / Q000378:metabolism*; D011485:Protein Binding; D013237:Stereoisomerism; D013816:Thermodynamics
chemical_list: C370242:(R)-2-(4'-bromo-biphenyl-4-sulfonyl-amino)-3-methyl-butyric acid; D006877:Hydroxamic Acids; D061965:Matrix Metalloproteinase Inhibitors; D009842:Oligopeptides; D011480:Protease Inhibitors; D019278:Matrix Metalloproteinase 3