Discovery of a novel serine protease inhibitor utilizing a structure-based and experimental selection of fragments technique

Journal of Computer-Aided Molecular Design

Volumn 15, Issue 6, 2001, Pages 553-559

  Makino, S ^a   Kayahara, T ^a   Tashiro, K ^a   Takahashi, M ^a   Tsuji, T ^a   Shoji, M ^a  

^a AJINOMOTO CO INC   (Japan)

Author keywords

Database; Docking simulation; Fragments; Ligands; Thrombin

Indexed keywords

AMINO ACIDS; BINDING ENERGY; ENZYME INHIBITION;

BINDING AFFINITIES; DOCKING SIMULATIONS; FRAGMENT; LIGAND STRUCTURE; NOVEL LIGANDS; POTENT INHIBITOR; SERINE PROTEASE INHIBITOR; SMALL MOLECULES; STRUCTURE-BASED; THROMBIN;

LIGANDS;

LIGAND; SERINE PROTEINASE INHIBITOR; THROMBIN INHIBITOR;

ARTICLE; ASSAY; BINDING AFFINITY; CHEMICAL STRUCTURE; COMPUTER PROGRAM; DATA BASE; DEVICE; EXPERIMENT; IC 50; MOLECULAR SIZE; MOLECULE; PREDICTION; PRIORITY JOURNAL; SIMULATION; TECHNIQUE;

EID: 0034923631     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1011196407163     Document Type: Article

References (37)