Design of Hybrid Molecules for Drug Development

Design of Hybrid Molecules for Drug Development

1st Edition - April 5, 2017

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  • Editor: Michael Decker
  • Paperback ISBN: 9780081010112
  • eBook ISBN: 9780081011188

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Design of Hybrid Molecules for Drug Development reviews the principles, advantages, and limitations involved with designing these groundbreaking compounds. Beginning with an introduction to hybrid molecule design and background as to their need, the book goes on to explore a range of important hybrids, with hybrids containing natural products, molecules containing NO- and H2S-donors, dual-acting compounds acting as receptor ligands and enzyme inhibitors, and the design of photoresponsive drugs all discussed. Drawing on practical case studies, the hybridization of molecules for development as treatments for a number of key diseases is then outlined, including the design of hybrids for Alzheimer's, cancer, and malaria. With its cutting-edge reviews of breaking developments in this exciting field, the book offers a novel approach for all those working in the design, development, and administration of drugs for a range of debilitating disorders.

Key Features

  • Highlights an approach unimpaired by the limitations of the classical search for lead structures - one of the core problems in modern drug development processes, making the content of high relevance for both academic and non-academic drug development processes
  • Pulls together research and design techniques in a novel way to give researchers the best possible platform from which to review the approaches and techniques applied
  • Compares the advantages and disadvantages of these compounds
  • Includes the very latest developments, such as photoactivatable and photo-responsive drugs


Medicinal chemists and drug researchers looking for an antidote to the limitations of classical lead discovery. Also computational chemists, biochemists, pharmaceutical scientists, medical professionals and academic researchers

Table of Contents

  • 1. Introduction

    2. Multitarget-Directed Antioxidants as Therapeutic Agents: Putting the Focus on the Oxidative Stress

    • Abstract
    • Abbreviations
    • 2.1 Introduction
    • 2.2 Melatonin Hybrids
    • 2.3 Ferulic Acid Hybrids
    • 2.4 Conclusions
    • References

    3. Towards Gaseous Mediator Hybrid Drugs

    • Abstract
    • 3.1 Introduction: Gaseous Mediators NO, H2S, and CO
    • 3.2 The Toolbox: Synthetic Donor Moieties for NO and H2S Release
    • 3.3 NO and H2S Hybrid Drugs Candidates
    • 3.4 Carbon Monoxide Donor Compounds, Design, and Hybrid Drugs
    • 3.5 Overview, Challenges, and Concluding Remarks
    • References

    4. Designed Hybrid Compounds for Tropical Parasitic Diseases

    • Abstract
    • 4.1 General Introduction
    • 4.2 Major Tropical Parasitic Diseases
    • 4.3 Hybrid Molecules for Tropical Parasitic Infections
    • 4.4 Conclusions
    • 4.5 Future Prospects
    • References

    5. Dual-Acting Compounds Acting as Receptor Ligands and Enzyme Inhibitors

    • Abstract
    • 5.1 Introduction
    • 5.2 Challenges
    • 5.3 Approaches and Examples
    • 5.4 Multifunctional Ligands for the Treatment of Pain
    • 5.5 Multifunctional Ligands for the Treatment of CNS Diseases
    • 5.6 Multitarget Compounds for the Treatment of Cardiovascular Diseases
    • 5.7 Conclusion
    • References

    6. Multitarget Anti-Alzheimer Hybrid Compounds: Do They Work In Vivo?

    • Abstract
    • List of Abbreviations
    • 6.1 Multitarget Therapies Against Alzheimer’s Disease
    • 6.2 Pharmacophore Combination Approach: Pros, Cons, and Challenges of Anti-Alzheimer Hybrid Compounds
    • 6.3 Evolution of Multitarget Anti-Alzheimer Drug Discovery
    • 6.4 In Vivo Efficacy Studies With Multitarget Anti-Alzheimer Hybrid Compounds
    • 6.5 Conclusions
    • References

    7. Anticancer Hybrids

    • Abstract
    • 7.1 Introduction
    • 7.2 Hybrid Drug Design for Cancer Treatment
    • 7.3 Methods to Construct Anticancer Hybrids
    • 7.4 Clinical Application of Hybrid Anticancer Drugs
    • 7.5 Cancer Cell-Targeting Hybrids
    • 7.6 Future Prospects
    • Acknowledgement
    • References

    8. Molecular Hybridization: An Emerging Tool for the Design of Novel Therapeutics for Alzheimer’s Disease

    • Abstract
    • 8.1 Introduction
    • 8.2 Molecular Hybridization and Pharmacophore Conjugation: Practical Methods for the Design of Multifunctional Drugs for AD
    • 8.3 Summary
    • References

    9. Computational Methods in Multitarget Drug Discovery

    • Abstract
    • 9.1 Introduction
    • 9.2 Methods to Identify Target Combinations
    • 9.3 Computationally Driven Multitarget Hit Discovery
    • 9.4 Computationally Driven Optimization of Multitarget Hits
    • 9.5 Perspective and Outlook
    • 9.6 Conclusions
    • References

    10. Medicinal Chemistry of Hybrids for Neurodegenerative Diseases

    • Abstract
    • 10.1 Introduction
    • 10.2 Design Strategies for Merged, Linked, and Fused Hybrids
    • 10.3 Hybrids for Alzheimer’s Disease
    • 10.4 Hybrids for Prion Diseases
    • 10.5 Conclusions
    • References

    11. Photoresponsive Hybrid Compounds

    • Abstract
    • 11.1 Introduction
    • 11.2 Light as an External Stimulus
    • 11.3 Molecular Photoswitches
    • 11.4 Design and Synthesis
    • 11.5 Targets
    • 11.6 Conclusion
    • References

Product details

  • No. of pages: 352
  • Language: English
  • Copyright: © Elsevier 2017
  • Published: April 5, 2017
  • Imprint: Elsevier
  • Paperback ISBN: 9780081010112
  • eBook ISBN: 9780081011188

About the Editor

Michael Decker

Following a number of years as a medicinal chemistry lecturer and research scientist at institutes including Regensburg University Germany, Queens University Belfast UK, and Harvard Medical School USA, Michael Decker is currently Professor of Pharmaceutical and Medicinal Chemistry at the University Würzburg’s Institute of Pharmacy and Food Chemistry. His predominant focus is on the design of novel therapeutic compounds for the treatment of Alzheimer’s disease, which has led his group to a particular interest in the design of hybrid molecules.

Contributor to 75 publications and 1 patent, he is a spokesperson of the International Doctorate Program “Receptor Dynamics: Emerging paradigms for novel drugs” of the “Elite Network of Bavaria” (2014 to 2022) and is very actively engaged with the chemistry community

Affiliations and Expertise

Professor of Pharmaceutical and Medicinal Chemistry, Institute of Pharmacy and Food Chemistry, Julius-Maximilians-Universität Würzburg, Germany

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