Computer-aided drug design: Integration of structure-based and ligand-based approaches in drug design

Current Computer-Aided Drug Design

Volumn 3, Issue 2, 2007, Pages 133-148

  Prathipati, Philip ^a   Dixit, Anshuman ^a   Saxena, Anil K ^a  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

Docking; Drug design; Integration; Ligand based drug design; Pharmacophore; QSAR; Structure based drug design; Virtual screening

Indexed keywords

COMPUTATIONAL CHEMISTRY; DESIGN; INTEGRATION; INVERSE PROBLEMS;

COMPUTER AIDED DRUG DESIGN; DOCKING; DRUG DESIGN; LIGAND-BASED DRUG DESIGN; PHARMACOPHORES; QSAR; STRUCTURE BASED DRUG DESIGNS; STRUCTURE-BASED; VIRTUAL SCREENING;

LIGANDS;

ADENOSINE A3 RECEPTOR ANTAGONIST; CARBONATE DEHYDRATASE INHIBITOR; COLCHICINE; DIPEPTIDYL CARBOXYPEPTIDASE INHIBITOR; RNA DIRECTED DNA POLYMERASE INHIBITOR;

ACCURACY; ALGORITHM; ARTIFICIAL INTELLIGENCE; BINDING AFFINITY; BINDING SITE; COMPUTER AIDED DESIGN; COMPUTER MODEL; CORRELATION ANALYSIS; DATA BASE; DISCRIMINANT ANALYSIS; DRUG DESIGN; DRUG INFORMATION; DRUG RESEARCH; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; FEASIBILITY STUDY; FILTRATION; HIGH THROUGHPUT SCREENING; INTERMETHOD COMPARISON; LIGAND BINDING; MATHEMATICAL COMPUTING; PHARMACOPHORE; PHYSICAL CHEMISTRY; PREDICTION; PROCESS OPTIMIZATION; PROTEIN BINDING; PROTEIN DETERMINATION; PROTEIN STRUCTURE; QUALITY CONTROL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; REVIEW; SAMPLING; SCORING SYSTEM; VALIDITY; X RAY CRYSTALLOGRAPHY;

EID: 34250332663     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340907780809516     Document Type: Review

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