Rational Drug Design

Methods and Protocols

  • Thomas Mavromoustakos
  • Tahsin F. Kellici

Part of the Methods in Molecular Biology book series (MIMB, volume 1824)

Table of contents

  1. Front Matter
    Pages i-xiv
  2. Panagiotis Lagarias, Youness Elkhou, Jayson Vedad, Athina Konstantinidi, Adam A. Profit, Tahsin F. Kellici et al.
    Pages 1-16
  3. Jeffrey R. Brender, Janarthanan Krishnamoorthy, Anirban Ghosh, Anirban Bhunia
    Pages 49-65
  4. Magda S. Chegkazi, Michael Mamais, Anastasia I. Sotiropoulou, Evangelia D. Chrysina
    Pages 89-111
  5. Dimitra-Danai Varsou, Spyridon Nikolakopoulos, Andreas Tsoumanis, Georgia Melagraki, Antreas Afantitis
    Pages 113-138
  6. Andrew Anighoro, Jürgen Bajorath
    Pages 165-175
  7. Maciej Majewski, Sergio Ruiz-Carmona, Xavier Barril
    Pages 195-215
  8. Constantinos Giaginis, Fotios Tsopelas, Anna Tsantili-Kakoulidou
    Pages 217-228
  9. Patricia Saenz-Méndez, Leif A. Eriksson
    Pages 229-243
  10. Simone Schierle, Daniel Merk
    Pages 245-260
  11. Vassilios Myrianthopoulos, George Lambrinidis, Emmanuel Mikros
    Pages 261-277
  12. Davide Sabbadin, Veronica Salmaso, Mattia Sturlese, Stefano Moro
    Pages 287-298
  13. Konstantinos D. Marousis, Aikaterini C. Tsika, Maria Birkou, Minos-Timotheos Matsoukas, Georgios A. Spyroulias
    Pages 299-316
  14. Ugo Perricone, Marcus Wieder, Thomas Seidel, Thierry Langer, Alessandro Padova
    Pages 317-333
  15. Carlotta Granchi, Flavio Rizzolio, Isabella Caligiuri, Marco Macchia, Adriano Martinelli, Filippo Minutolo et al.
    Pages 335-346
  16. Antonis Tsiailanis, Maria Tsoumani, Evgenios K. Stylos, Maria V. Chatziathanasiadou, Tahsin F. Kellici, Thomas Mavromoustakos et al.
    Pages 371-385
  17. Eleni Vrontaki, Antonios Kolocouris
    Pages 387-401
  18. Marlet Martínez-Archundia, Martiniano Bello, Jose Correa-Basurto
    Pages 403-416
  19. Dimitrios Ntountaniotis
    Pages 417-430
  20. Ismail Erol, Busecan Aksoydan, Isik Kantarcioglu, Serdar Durdagi
    Pages 431-448
  21. Back Matter
    Pages 461-465

About this book


This volume covers several aspects of rational drug design, such as synthesis of novel bioactive drugs; development and application of new methodologies; computational methods valuable for the establishment of new approaches in drug discovery; and the effects of physical-chemical and ADMET properties of the designed potential drugs. Chapters guide readers through amyloid deposits, Saturation Transfer Difference (STD) NMR, methods on bioguided design, the importance of lipophilicity in drug design, ADMET, FRET, structural biology, and homology modeling. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls.

Authoritative and cutting-edge, Rational Drug Design: Methods and Protocols aims to ensure successful results in the further study of this vital field.


Intrinsically disordered proteins GPCR targeting Polypharmacology Saturation Transfer Difference (STD) trypanosomicidal compounds lipophilicity

Editors and affiliations

  • Thomas Mavromoustakos
    • 1
  • Tahsin F. Kellici
    • 2
  1. 1.Division of Organic Chemistry, Department of ChemistryNational and Kapodistrian University of AthensPanepistimiopolis, Zografou, AthensGreece
  2. 2.Division of Organic Chemistry, Department of ChemistryNational and Kapodistrian University of AthensPanepistimiopolis, Zografou, AthensGreece

Bibliographic information

  • DOI
  • Copyright Information Springer Science+Business Media, LLC, part of Springer Nature 2018
  • Publisher Name Humana Press, New York, NY
  • eBook Packages Springer Protocols
  • Print ISBN 978-1-4939-8629-3
  • Online ISBN 978-1-4939-8630-9
  • Series Print ISSN 1064-3745
  • Series Online ISSN 1940-6029
  • Buy this book on publisher's site
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