Chemogenomics: Knowledge-based Approaches To Drug Discovery

Knowledge-based Approaches to Drug Discovery

Edgar Jacoby

• Publisher: ICP
• Year: 2006
• Print ISBN:
  9781860946134
  9781860946134
• eBook ISBN:
  9781860948114
• Topic: Medicine
• Subtopic: Pharmacology

In the post-genomic era, one of the key challenges for drug discovery is making optimal use of the comprehensive genomic data available after the elucidation of the human genome and others in order to identify effective new medicines. Addressing this challenge, chemogenomics aims to identify systematically all ligands and modulators for all the gene products expressed and allows the accelerated exploration of their biological function. The subject brings together diverse disciplines including chemistry, genetics, chemo- and bioinformatics, structural biology, and biological screening in phenotypic and target-based assays.This book uniquely integrates reviews of the latest cutting-edge research by leaders in the various disciplines, providing a general, knowledge-centric overview of the different chemical, biological and informatics components. Unlike existing publications, the book focuses on how these disciplines interact efficiently for the rapid discovery of new targets and their effector molecules simultaneously. Examples of chemogenomics approaches pursued in academia as well as in biotech and pharmaceutical companies are also provided.

Table of contents

• Contents
• A Personal Introduction
• Chapter 1 Small Molecules for Chemogenomics-based Drug Discovery Edgar Jacoby, Ansgar Schuffenhauer, Kamal Azzaoui, Maxim Popov, Sigmar Dressler, Meir Glick, Jeremy Jenkins, John Davies and Silvio Roggo
• Chapter 2 Mapping the Chemogenomic Space Jordi Mestres
• Chapter 3 Natural Product Scaffolds and Protein Structure Similarity Clustering (PSSC) as Inspiration Sources for Compound Library Design in Chemogenomics and Drug Development Frank J. Dekker, Stefan Wetzel and Herbert Waldmann
• Chapter 4 A Reductionist Approach to Chemogenomics in the Design of Drug Molecules and Focused Libraries Roger Crossley and Martin Slater
• Chapter 5 In silico Screening of the Protein Structure Repertoire and of Protein Families Didier Rognan
• Chapter 6 New Methods for Similarity-based Virtual Screening Jérôme Hert, Peter Willett and David J. Wilton
• Chapter 7 Structural Informatics: Chemogenomics In silico Derek A. Debe, Kevin P. Hambly and Joseph F. Danzer
• Chapter 8 Construction of a Homogeneous and Informative In vitro Profiling Database for Anticipating the Clinical Effects of Drugs Nicolas Froloff, Valérie Hamon, Philippe Dupuis, Annie Otto-Bruc, Boryeu Mao, Sandra Merrick and Jacques Migeon
• Index