Fragment based drug design: From experimental to computational approaches

Current Medicinal Chemistry

Volumn 19, Issue 30, 2012, Pages 5128-5147

  Kumar, A ^a   Voet, A ^a   Zhang, K Y J ^a  

^a RIKEN   (Japan)

Author keywords

Computational fragment based drug design; De novo design; Fragment based drug design; Fragment growing; Fragment linking; Ligand efficiency; Molecular docking; Protein protein interactions; Scaffold based drug design; Small molecule protein protein interaction inhibitors

Indexed keywords

1 CYCLOPROPYL 3 [3 (5 MORPHOLINOMETHYL 1H BENZIMIDAZOL 2 YL) 1H PYRAZOL 4 YL]UREA; 5 (2,4 DIHYDROXY 5 ISOPROPYLPHENYL) 4 (4 MORPHOLINOMETHYLPHENYL) 3 ISOXAZOLECARBOXYLIC ACID ETHYLAMIDE; AT 7519; AURORA KINASE INHIBITOR; BETA SECRETASE 1; INITIATION FACTOR 4E; MITOGEN ACTIVATED PROTEIN KINASE KINASE 4; N [3 (5 CHLORO 1H PYRROLO[2,3 B]PYRIDINE 3 CARBONYL) 2,4 DIFLUOROPHENYL]PROPANESULFONAMIDE; NAVITOCLAX; PROTEIN BCL 2; PROTEIN INHIBITOR; UNCLASSIFIED DRUG; VEMURAFENIB;

AFFINITY CHROMATOGRAPHY; BINDING AFFINITY; CAPILLARY ELECTROPHORESIS; COMPUTER MODEL; DRUG BINDING SITE; DRUG DESIGN; DRUG SCREENING; DRUG TARGETING; ELECTROSPRAY MASS SPECTROMETRY; FRAGMENT BASED DRUG DESIGN; HIGH THROUGHPUT SCREENING; HUMAN; INTERFEROMETRY; ISOTHERMAL TITRATION CALORIMETRY; MASS SPECTROMETRY; MELANOMA; MOLECULAR DOCKING; MOLECULAR WEIGHT; NEOPLASM; NONHUMAN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHARMACOPHORE; PROTEIN PROTEIN INTERACTION; REVIEW; STRUCTURE ACTIVITY RELATION; SURFACE PLASMON RESONANCE; ULTRAFILTRATION; X RAY CRYSTALLOGRAPHY;

ANIMALS; ANTINEOPLASTIC AGENTS; DRUG DISCOVERY; HUMANS; INDOLES; PROTEIN INTERACTION MAPS; PROTEIN KINASE INHIBITORS; PROTO-ONCOGENE PROTEINS B-RAF; SMALL MOLECULE LIBRARIES; SULFONAMIDES;

EID: 84870401411     PISSN: 09298673     EISSN: 1875533X     Source Type: Journal    
DOI: 10.2174/092986712803530467     Document Type: Review

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