Hit and Lead Profiling
Methods and principles in medicinal chemistry · 2009
PART 1: Introduction: The one Airplane that Flies - Selection of the Right one Molecule for Clinical use. 1 Process logistics, testing strategies and automation aspects 2 Prediction of drug-likeness and its integration 3 Integrative risk assessment PART 2: ADME Profiling: What is Drug Likeness? 4 Solubility and Aggregation 5 In silico tools and in vitro HTS approaches to determine lipophilicity during the drug discovery process 6 Membrane permeability - measurement and prediction in drug discovery 7 Drug Metabolism and Reactive Metabolites 8 Drug-Drug Interactions: Screening for liability and assessment of risk 9 Plasma Protein Binding and Volume of Distribution: Determination, Prediction and Use in Early Drug Discovery 10 Putting it all together PART 3: Safety Profiling: What is Considered Safe in the Clinic? 11 Genetic Toxicity: in vitro Approaches for Hit and Lead Profiling 12 In vitro Safety Pharmacology Profiling: An important tool to decrease attrition 13 Knowledge-based and Computational Approaches to in vitro Safety Pharmacology PART 4: Organ Specific Toxicity 14 Discovery Toxicology Screening: Predictive, In Vitro Cytotoxicity 15 Predicting Drug-Induced Hepatotoxicity: In Vitro, In Silico, and In Vivo Approaches 16 Should cardiosafety be ruled by hERG inhibition? Early testing scenarios and integrated risk assessment 17 Haematotoxicity: in vitro and ex vivo compound profiling 18 Profiling Adverse Immune Effects 19 In Vitro Phototoxicity Testing: A Procedure Involving Multiple Endpoints