© 2018

Computational Modeling of Drugs Against Alzheimer’s Disease

  • Kunal Roy

Part of the Neuromethods book series (NM, volume 132)

Table of contents

  1. Front Matter
    Pages i-xvii
  2. An Introduction to the Disease

    1. Front Matter
      Pages 1-1
    2. Awanish Kumar, Ashwini Kumar
      Pages 3-22
  3. Computational Modeling Methods for Anti-Alzheimer Agents

    1. Front Matter
      Pages 23-23
    2. Sergi Gómez-Ganau, Jesús Vicente de Julián-Ortiz, Rafael Gozalbes
      Pages 25-59
    3. Agostinho Lemos, Rita Melo, Irina S. Moreira, M. Natália D. S. Cordeiro
      Pages 61-106
    4. Eugene V. Radchenko, Vladimir A. Palyulin, Nikolay S. Zefirov
      Pages 139-159
  4. Modeling of Ligands Acting Against Specific Anti-Alzheimer Drug Targets

    1. Front Matter
      Pages 161-161
    2. Irini Doytchinova, Mariyana Atanasova, Georgi Stavrakov, Irena Philipova, Dimitrina Zheleva-Dimitrova
      Pages 163-176
    3. Odailson Santos Paz, Thamires Quadros Froes, Franco Henrique Leite, Marcelo Santos Castilho
      Pages 177-206
    4. Maricarmen Hernández Rodríguez, Leticia Guadalupe Fragoso Morales, José Correa Basurto, Martha Cecilia Rosales Hernández
      Pages 229-248
    5. Kailas Dashrath Sonawane, Maruti Jayaram Dhanavade
      Pages 263-282
    6. Carlos Navarro-Retamal, Julio Caballero
      Pages 305-345
    7. Mange Ram Yadav, Mahesh A. Barmade, Rupesh V. Chikhale, Prashant R. Murumkar
      Pages 347-417
    8. Ádám A. Kelemen, Stefan Mordalski, Andrzej J. Bojarski, György M. Keserű
      Pages 419-461

About this book


This volume describes different computational methods encompassing ligand-based approaches (QSAR, pharmcophore), structure-based approaches (homology modeling, docking, molecular dynamics simulation), and combined approaches (virtual screening) with applications in anti-Alzheimer drug design. Different background topics like molecular etiologies of Alzheimer’s disease, targets for new drug development, and different cheminformatic modeling strategies are covered for completeness. Special topics like multi-target drug development, natural products, protein misfolding, and nanomaterials are also included in connection with computational modeling of anti-Alzheimer drug development. In Neuromethods series style, chapters include the kind of detail and key advice from the specialists needed to get successful results in your laboratory.

Cutting-edge and authoritative, Computational Modeling of Drugs Against Alzheimer’s Disease is a valuable resource for learning about the latest computational techniques used to study this disease.


ADMET optimization CDK5/p25 AChE inhibitors BACE GSK Drug design Drug development Pharmacology

Editors and affiliations

  • Kunal Roy
    • 1
  1. 1.Department of Pharmaceutical TechnologyJadavpur UniversityKolkataIndia

About the editors

Dr. Kunal Roy is a Professor in the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India. He has been a recipient of Commonwealth Academic Staff Fellowship (University of Manchester, 2007) and Marie Curie International Fellowship (University of Manchester, 2013). The field of his research interest is QSAR and Molecular Modeling with application in Drug Design and Ectoxicological Modeling. Dr. Roy has published more than 250 research papers in refereed journals (current SCOPUS h index 35). He has also coauthored two QSAR related books, edited two QSAR books and published ten book chapters. Dr. Roy serves in different capacities in the Editorial Boards of several International Journals.

Bibliographic information

  • Book Title Computational Modeling of Drugs Against Alzheimer’s Disease
  • Editors Kunal Roy
  • Series Title Neuromethods
  • Series Abbreviated Title Neuromethods
  • DOI
  • Copyright Information Springer Science+Business Media LLC 2018
  • Publisher Name Humana Press, New York, NY
  • eBook Packages Springer Protocols
  • Hardcover ISBN 978-1-4939-7403-0
  • Softcover ISBN 978-1-4939-8475-6
  • eBook ISBN 978-1-4939-7404-7
  • Series ISSN 0893-2336
  • Series E-ISSN 1940-6045
  • Edition Number 1
  • Number of Pages XVII, 645
  • Number of Illustrations 64 b/w illustrations, 158 illustrations in colour
  • Topics Neurosciences
  • Buy this book on publisher's site