Accelerated path to cures / Josep Bassaganya-Riera, editor.
Bassaganya-Riera, Josep, editor.
2018
QR182.2.I46
Available Online

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Title Accelerated path to cures / Josep Bassaganya-Riera, editor.
ISBN 9783319732381 (electronic book)
3319732382 (electronic book)
9783319732374
3319732374
DOI https://doi.org/10.1007/978-3-319-73238-1
Published Cham, Switzerland : Springer, [2018]
Language English
Description 1 online resource : illustrations.
Item Number 10.1007/978-3-319-73238-1 doi
Call Number QR182.2.I46
Dewey Decimal Classification 616.0790285
Summary Accelerated Path to Cures provides a transformative perspective on the power of combining advanced computational technologies, modeling, bioinformatics and machine learning approaches with nonclinical and clinical experimentation to accelerate drug development. This book discusses the application of advanced modeling technologies, from target identification and validation to nonclinical studies in animals to Phase 1-3 human clinical trials and post-approval monitoring, as alternative models of drug development. As a case of successful integration of computational modeling and drug development, we discuss the development of oral small molecule therapeutics for inflammatory bowel disease, from the application of docking studies to screening new chemical entities to the development of next-generation in silico human clinical trials from large-scale clinical data. Additionally, this book illustrates how modeling techniques, machine learning, and informatics can be utilized effectively at each stage of drug development to advance the progress towards predictive, preventive, personalized, precision medicine, and thus provide a successful framework for Path to Cures. .
Bibliography, etc. Note Includes bibliographical references and index.
Access Note Access limited to authorized users.
Digital File Characteristics text file PDF
Source of Description Online resource; title from PDF title page (viewed May 02, 2018).
Added Author Bassaganya-Riera, Josep, editor.
Available in Other Form Print version: 9783319732374
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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

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