Full Description
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.
Contents
Section 1. Introduction
1. Drug Repositioning: New Opportunities for Older Drugs
2. Computational Drug Design Methods - Current and Future Perspectives
Section 2. Theoretical Background and Methodologies
3. In Silico Drug Design Methods for Drug Repurposing
4. Computational Drug Repurposing for Neurodegenerative Diseases
5. Repurposed molecules: A New Hope in Tackling Neglected Infectious Diseases
6. Molecular Docking: A Structure-Based Approach for Drug Repurposing
7. Data Science Driven Drug Repurposing for Metabolic Disorders
8. Data-driven Systems Level Approaches for Drug Repurposing: Combating Drug Resistance in Priority Pathogens
9. In Silico Repurposing of Cell Cycle Modulators for Cancer Treatment
10. Proteochemometric Modeling for Drug Repositioning
11. Drug Repurposing from Transcriptome Data: Methods and Applications
12. Omics-driven Knowledge Based Discovery of Anthelmintic Targets and Drugs
13. Analysis of Chemical Spaces: Implications for Drug Repurposing
Section 3. Examples and Case Studies
14. Drug Repurposing in Search of Anti-Infectives: Need of the Hour in the Multi-Drug Resistance Era!
15. Application of In Silico Drug Repurposing in Infectious Diseases
16. In Silico Modeling of FDA-approved Drugs for Discovery of Anti-candida Agents: A Drug Repurposing Approach
17. In silico Modeling of FDA-approved Drugs for Discovery of Anticancer Agents: A Drug Repurposing Approach
18. Tackling Lung Cancer Drug Resistance using Integrated Drug Repurposing Strategy
19. In Silico Modeling of FDA-approved Drugs for Discovery of Anti-cancer Agents: A Drug Repurposing Approach
20. Drug Repurposing by Connectivity Mapping and Structural Modeling
21. In Silico Modeling of FDA-approved Drugs for Discovery of Therapies Against Neglected Diseases: A Drug Repurposing Approach
22. Ascorbic Acid is a Potential Inhibitor of Collagenases - In Silico and In Vitro Biological Studies
23. Bioinformatic Approaches for Repurposing and Repositioning Antibiotics, Antiprotozoals and
Antivirals
Section 4. Tools and databases
24. In Silico Databases and Tools for Drug Repurposing
25. An Overview of Computational Methods, Tools, Servers and Databases for Drug Repurposing
26. In silico Drug Repurposing for MDR Bacteria: Opportunities and Challenges
27. Drug Repositioning Strategies to Explore New Candidates Treating Prostate Cancer
28. PDID: Database of Experimental and Putative Drug Targets in Human Proteome
