Bioorganic & medicinal chemistry letters

Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV

M Karle, W Knecht, Y Xue

Index: Karle, Michael; Knecht, Wolfgang; Xue, Yafeng Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 14 p. 4839 - 4843

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Citation Number: 12

Abstract

In a project to find novel neutral P1 fragments for the synthesis of thrombin inhibitors with improved pharmacokinetic properties, fragments containing a benzothiazole guanidine scaffold were identified as weak thrombin inhibitors. WaterLOGSY (Water-Ligand Observed via Gradient SpectroscopY) NMR was used to detect fragments binding to thrombin and these fragments were followed up by Biacore A100 affinity measurements and enzyme ...