In silico predictions of hERG channel blockers in drug discovery: from ligand-based and target-based approaches to systems chemical biology

Medicin og biovidenskab

• Systems Biology 89%
• Ether 83%
• Drug Discovery 76%
• Computer Simulation 70%
• Ligands 52%
• Genes 30%
• Pharmaceutical Preparations 25%
• Cardiac Arrhythmias 21%
• Quantitative Structure-Activity Relationship 17%
• Torsades de Pointes 16%
• Long QT Syndrome 16%
• Drug Design 14%
• Potassium Channels 14%
• Molecular Dynamics Simulation 13%
• Drug Interactions 12%
• Drug-Related Side Effects and Adverse Reactions 11%
• Clinical Studies 8%
• Costs and Cost Analysis 7%
• In Vitro Techniques 5%
• Therapeutics 2%

Teknik og materialevidenskab

• Drug Discovery 100%
• Ligands 98%
• Ethers 87%
• Genes 71%
• Potassium 15%
• Toxicity 14%
• Assays 14%
• Molecular dynamics 13%
• Screening 11%
• Costs 4%

Kemiske forbindelser

• Drug 39%
• Cardiotoxic 17%
• Molecular Dynamics 7%