Integrating virtual screening in lead discovery

Current Opinion in Chemical Biology

Volumn 8, Issue 4, 2004, Pages 349-358

  Oprea, Tudor I ^a   Matter, Hans ^b  

^a UNIVERSITY OF NEW MEXICO SCHOOL OF MEDICINE   (United States)

^b SANOFI AVENTIS DEUTSCHLAND GMBH   (Germany)

Author keywords

absorption, distribution, metabolism, excretion and toxicity; ADMET; BBB; blood brain barrier; casein kinase II; CATS; chemically advanced template search; CK2; ER ; estrogen receptor ; hERG; human ether a go go related gene; LBVS

Indexed keywords

BENZAMIDINE; CALCIUM ANTAGONIST; CARBONATE DEHYDRATASE II; CASEIN KINASE II; CLOPIMOZIDE; CYTOCHROME P450; GLYCOGEN SYNTHASE KINASE 3; HORMONE RECEPTOR BLOCKING AGENT; LIGAND; MIBEFRADIL; OXADIAZOLE DERIVATIVE; PHOSPHOTRANSFERASE INHIBITOR; PROTEIN TYROSINE KINASE INHIBITOR; RALOXIFENE; THYROID HORMONE RECEPTOR ANTAGONIST; UNCLASSIFIED DRUG; UROTENSIN II; VASCULAR CELL ADHESION MOLECULE 1;

CARDIOTOXICITY; CELL STRAIN CACO 2; DRUG SCREENING; HUMAN; MEDICAL ASSESSMENT; MOLECULAR BIOLOGY; NONHUMAN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN BINDING; REVIEW; X RAY;

ANIMALS; COMPUTER-AIDED DESIGN; DATABASES, FACTUAL; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HUMANS; LIGANDS; MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 3242888975     PISSN: 13675931     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cbpa.2004.06.008     Document Type: Review

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