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BL
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| Record Number
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889714
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| Title & Author
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Targeting protein-protein interactions by small molecules /\ Chunquan Sheng, Gunda I. Georg, editors.
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| Publication Statement
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Singapore :: Springer,, 2018.
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| Page. NO
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1 online resource
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| ISBN
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9789811307737
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: 9789811307744
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: 9789811344961
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: 9811307733
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: 9811307741
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: 9811344965
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9789811307720
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9811307725
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| Contents
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Intro; Preface; Contents; Contributors; Current Strategies for the Discovery of Small-Molecule Inhibitors of Protein-Protein Interactions; 1 Overview of Protein-Protein Interactions and Small-Molecule Inhibitors Under Clinical Development; 1.1 Introduction; 1.2 Challenges in the Discovery of Small-Molecule PPI Inhibitors; 1.3 Structures and Classifications of PPIs; 1.4 "Hot Spots" as Structural Basis for the Design of Small-Molecule PPI Inhibitors; 1.5 Overview of Strategies for the Design of Small-Molecule PPI Inhibitors; 1.6 Small-Molecule PPI Inhibitors Under Clinical Development.
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1.6.1 Fragment-Based Discovery of Bcl-2 Inhibitor Venetoclax1.6.2 Discovery of LFA-1/ICAM-1 Inhibitor Lifitegrast for the Treatment of Dry Eye Syndrome; 1.7 Conclusions; References; 2 High-Throughput Screening in the Discovery of Small-Molecule Inhibitors of Protein-Protein Interactions; 2.1 Introduction; 2.2 Compound Libraries for HTS of PPI Inhibitors; 2.2.1 MCR-Inspired Compound Library; 2.2.2 DOS-Inspired Compound Library; 2.2.3 Cascade Reaction-Inspired Compound Library; 2.2.4 BIOS-Inspired Compound Library; 2.3 Assays for HTS of PPI Inhibitors; 2.3.1 FP Assay; 2.3.2 FRET Assay.
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4 Computational Methods Applicable to the Discovery of Small-Molecule Inhibitors of Protein-Protein Interactions4.1 Background; 4.2 Computational Methods Used for Characterizing PPIs; 4.2.1 Selecting a PPI Target; 4.2.2 Homology Modeling of Protein Structures; 4.2.3 Protein-Protein Molecular Docking; 4.2.4 Identifying Hot Spots on PPI Interfaces; 4.3 Computational Methods Used for Designing PPI Inhibitors; 4.3.1 Virtual Screening; 4.3.2 Fragment-Based Design; 4.4 Example Applications of Computational Methods for PPI Inhibitor Discovery.
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4.4.1 Case 1: A Pharmacophore-Based Strategy Used in the Design of p53-MDM2 Inhibitors4.4.2 Case 2: Discovery of uPA-uPAR Inhibitors Through a Docking-Based Virtual Screening; 4.4.3 Case 3: Discovery of IL-6/GP130 Interaction Inhibitors Through Multi-fragment Docking; 4.4.4 Case 4: Development of a Bcl-2 Inhibitor via a Fragment-Based De Novo Design; 4.5 Conclusion; Acknowledgements; References; 5 Experimental Methods Used for Identifying Small-Molecule Inhibitors of Protein-Protein Interaction; 5.1 Introduction; 5.2 Biophysical Methods; 5.2.1 Fluorescence Polarization (FP).
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| Abstract
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This book comprehensively reviews the state-of-the-art strategies developed for protein-protein interaction (PPI) inhibitors, and highlights the success stories in new drug discovery and development. Consisting of two parts with twelve chapters, it demonstrates the design strategies and case studies of small molecule PPI inhibitors. The first part discusses various discovery strategies for small molecule PPI inhibitors, such as high throughput screening, hot spot-based design, computational approaches, and fragment-based design. The second part presents recent advances in small molecule inhibitors, focusing on clinical candidates and new PPI targets. This book has broad appeal and is of significant interest to the pharmaceutical science and medicinal chemistry communities.
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| Subject
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Biochemistry.
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Molecular association.
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Protein-protein interactions.
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Biochemistry.
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Molecular association.
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Protein-protein interactions.
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SCIENCE-- Life Sciences-- Biochemistry.
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Chemistry.
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Bioorganic Chemistry.
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Medicinal Chemistry.
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Pharmaceutical Sciences/Technology.
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Protein Science.
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| Dewey Classification
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572.64
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| LC Classification
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QP551.5
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| Added Entry
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Georg, Gunda I.
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Sheng, Chunquan
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