In silico drug design: repurposing techniques and methodologies

In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources. Other topics include in silico drug design methods, computational workflows for drug repurposing, and network-based in silico screening for drug efficacy. With contributions from experts in the field and the inclusion of practical case studies, this book gives scientists, researchers and R & D professionals in the pharmaceutical industry valuable insights into drug design.

Front Cover; In Silico Drug Design: Repurposing Techniques and Methodologies; Copyright; Dedication; Contents; Contributors; About the Editor; Preface; Section 1: Introduction; Chapter 1: Drug Repositioning: New Opportunities for Older Drugs; 1. Introduction; 2. The Fundamentals for Drug Repositioning; 3. Different Approaches to the Development of New Indications for Old Drugs; 3.1. Serendipity and Text Mining; 3.2. Observation of Unexpected Side Effects; 3.3. Detection of a New Role for the Existing Targets; 3.4. Identification of New Drug-Target Interactions

3.5. Drug Repositioning for Specific Disease Phenotypes4. Conclusions; Acknowledgment; References; Chapter 2: Computational Drug Design Methods-Current and Future Perspectives; 1. Introduction; 2. Overview of Current Approaches Used in Computer-Aided Drug Design; 2.1. Classification of Computer-Aided Drug Design Methods; 2.1.1. Structure-Based Methods; 2.1.2. Ligand-Based Methods; 2.1.3. Hybrid Methods and Methods Based on End-Points; 2.2. Main Applications of Computer-Aided Drug Design; 2.2.1. Hit Finding; 2.2.2. Lead Optimization

3. Case Studies: Successful Applications of Computer-Aided Drug Design4. Trending Concepts a…