Overview

This book focuses on applications of compound library design and virtual screening to expand the bioactive chemical space, to target hopping of chemotypes to identify synergies within related drug discovery projects or to repurpose known drugs, to propose mechanism of action of compounds, or to identify off-target effects by cross-reactivity analysis. Both ligand-based and structure-based in silico approaches, as reviewed in this book, play important roles for all these applications. Computational chemogenomics is expected to increase the quality and productivity of drug discovery and lead to the discovery of new medicines.

Full Product Details

Author:   Edgar Jacoby (Novartis Pharma AG, Basel, Switzerland)
Publisher:   Pan Stanford Publishing Pte Ltd
Imprint:   Pan Stanford Publishing Pte Ltd
Dimensions:   Width: 15.20cm , Height: 1.90cm , Length: 22.90cm
Weight:   0.504kg
ISBN:  

9789814411394

ISBN 10:   9814411396
Pages:   264
Publication Date:   03 December 2013
Audience:   College/higher education ,  Professional and scholarly ,  Tertiary & Higher Education ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   In Print  
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Table of Contents

Foreword. Chemogenomics Approaches for the Quantitative Comparison of Biological Targets. Considerations on the Drug-like Chemical Space. Chemogenomic Protein-Family Methods in Drug Discovery: Profile-QSAR and Kinase-Kernel. Virtual Screening and Target Fishing for Natural Products Using 3D Pharmacophores. Computational Analysis of Ligand Binding Pockets. Binding Site Similarity Search to Identify Novel Target-Ligand Complexes. ChemProt: A Disease Chemical Biology Database. Scientific Requirements for the Next Generation Semantic Web-based Chemogenomics and Systems Chemical Biology Molecular Information System OPS. Index.

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Edgar Jacoby

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