Binding cooperativity between a ligand carbonyl group and a hydrophobic side chain can be enhanced by additional H-bonds in a distance dependent manner: A case study with thrombin inhibitors

Article ID	Journal	Published Year	Pages	File Type
7799826	European Journal of Medicinal Chemistry	2015	20 Pages	PDF

Keywords

DMF DIEA EDCI HOAt BOC HRMS tPA DCM tert-butoxycarbonyl LiAlH4 DCE Ligand binding affinity 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride 1-hydroxy-7-azabenzotriazole 1H NMR N,N-dimethylformamide Lithium aluminum hydride standard deviation Standard Gibbs free energy Non-additivity Benzyl Thrombin triethylamine Cooperativity Scoring functions Dichloroethane Dichloromethane carbon nuclear magnetic resonance 13C NMR High resolution mass spectrometry B-factor tissue plasminogen activator Methyl inhibition constant HATU proton nuclear magnetic resonance Protein-ligand binding TEA high performance liquid chromatography HPLC

Related Topics

Physical Sciences and Engineering Chemistry Organic Chemistry

Binding cooperativity between a ligand carbonyl group and a hydrophobic side chain can be enhanced by additional H-bonds in a distance dependent manner: A case study with thrombin inhibitors

Authors

Ahmed M. Said, David G. Hangauer,