Linked e-resources
Details
Table of Contents
Intro; Contents; Contributors; Chapter 1: Introduction to Accelerated Path to Cures and Precision Medicine in Inflammatory Bowel Disease; Overview; LANCL2 Drug Development Use Case; Network Modeling for PD Biomarker Analyses Use Case; References; Chapter 2: Computer-Aided Drug Discovery; Overview; Structure-Based Versus Ligand-Based Modeling; Ligand-Based Modeling Approaches; Similarity Searching; Ligand-Based Pharmacophore Modeling; Quantitative-Structure Activity Relationship Modeling (QSAR); Structure-Based Modeling Approaches; Molecular Docking; Structure-Based Pharmacophore Modeling
Molecular Docking and Virtual ScreeningMolecular Docking; Virtual Screening; Application of Molecular Dynamics Simulations in Drug Discovery; General Considerations; Applications of Molecular Dynamics in Generating Conformational Ensembles; MD and Scoring; MD to Discover Novel Binding Sites; Success Stories in Computational Drug Discovery; Concluding Remarks; References; Chapter 3: Preclinical Studies: Efficacy and Safety; Preclinical Studies: Safety; Preclinical Studies: Efficacy; Animal Models of IBD to Test Therapeutic Efficacy; DSS-Induced Colitis; Adoptive Transfer Model of Colitis
Citrobacter rodentium Infection Model of ColitisMDR1a−/− Model of Colitis; Pig as Model of Colitis; Cell-Specific Knockout Mice; Animal Models Used in Drug Development for IBD; Utilization of Computational Models in Preclinical Studies; Concluding Remarks; References; Chapter 4: From Nutritional Immunology to Drug Development; Overview; Nutritional Modulation of Immune-Mediated Diseases; Important Immunometabolic Pathways; Nutrition-Based Therapeutics Used to Treat Gastrointestinal Diseases; Computational Approaches to Discover New Therapeutics: A Precision Medicine Initiative
Accelerating the Path to Precision MedicineComputational Models Used for Precision Medicine Discovery Measures Endpoints of Immune Mediated and Inflammatory Diseases; Concluding Remarks; References; Chapter 5: Development of Synthetic Patient Populations and In Silico Clinical Trials; Overview; Clinical Research and Clinical Trials; Design Strategies; Data Sources; Predictive Modeling for Precision Medicine; Data-Driven Models; Mechanistic Models; Rule-Based Models; Human Avatars: Virtual Patient Populations; Treatment Design; Data-Driven Design; Mechanistic Modeling-Based Design
Statistical AnalysisDimensionality Reduction; Analysis of Variance; Concluding Remarks; References; Index
Molecular Docking and Virtual ScreeningMolecular Docking; Virtual Screening; Application of Molecular Dynamics Simulations in Drug Discovery; General Considerations; Applications of Molecular Dynamics in Generating Conformational Ensembles; MD and Scoring; MD to Discover Novel Binding Sites; Success Stories in Computational Drug Discovery; Concluding Remarks; References; Chapter 3: Preclinical Studies: Efficacy and Safety; Preclinical Studies: Safety; Preclinical Studies: Efficacy; Animal Models of IBD to Test Therapeutic Efficacy; DSS-Induced Colitis; Adoptive Transfer Model of Colitis
Citrobacter rodentium Infection Model of ColitisMDR1a−/− Model of Colitis; Pig as Model of Colitis; Cell-Specific Knockout Mice; Animal Models Used in Drug Development for IBD; Utilization of Computational Models in Preclinical Studies; Concluding Remarks; References; Chapter 4: From Nutritional Immunology to Drug Development; Overview; Nutritional Modulation of Immune-Mediated Diseases; Important Immunometabolic Pathways; Nutrition-Based Therapeutics Used to Treat Gastrointestinal Diseases; Computational Approaches to Discover New Therapeutics: A Precision Medicine Initiative
Accelerating the Path to Precision MedicineComputational Models Used for Precision Medicine Discovery Measures Endpoints of Immune Mediated and Inflammatory Diseases; Concluding Remarks; References; Chapter 5: Development of Synthetic Patient Populations and In Silico Clinical Trials; Overview; Clinical Research and Clinical Trials; Design Strategies; Data Sources; Predictive Modeling for Precision Medicine; Data-Driven Models; Mechanistic Models; Rule-Based Models; Human Avatars: Virtual Patient Populations; Treatment Design; Data-Driven Design; Mechanistic Modeling-Based Design
Statistical AnalysisDimensionality Reduction; Analysis of Variance; Concluding Remarks; References; Index