Multi-Target Drug Design Using Chem-Bioinformatic Approaches

  • Kunal Roy

Part of the Methods in Pharmacology and Toxicology book series (MIPT)

Table of contents

  1. Front Matter
    Pages i-xvi
  2. Chem-Bioinformatic Tools

    1. Front Matter
      Pages 1-1
    2. J. Jesús Naveja, Fernanda I. Saldívar-González, Norberto Sánchez-Cruz, José L. Medina-Franco
      Pages 3-25
    3. Neelima Gupta, Prateek Pandya, Seema Verma
      Pages 27-50
    4. Azizeh Abdolmaleki, Fereshteh Shiri, Jahan B. Ghasemi
      Pages 51-90
  3. Computational Multi-Target Drug Design: Literature Reviews

    1. Front Matter
      Pages 91-91
    2. Marco Catto, Daniela Trisciuzzi, Domenico Alberga, Giuseppe Felice Mangiatordi, Orazio Nicolotti
      Pages 93-105
    3. Jéssika de Oliveira Viana, Marcus T. Scotti, Luciana Scotti
      Pages 107-154
    4. Amit Kumar Halder, Ana S. Moura, M. Natália D. S. Cordeiro
      Pages 155-186
    5. Sotirios Katsamakas, Dimitra Hadjipavlou-Litina
      Pages 203-253
    6. Cindy Juliet Cristancho Ortiz, Matheus de Freitas Silva, Vanessa Silva Gontijo, Flávia Pereira Dias Viegas, Kris Simone Tranches Dias, Claudio Viegas Jr.
      Pages 255-351
  4. Case Studies

    1. Front Matter
      Pages 353-353
    2. Andrew Anighoro, Luca Pinzi, Giulio Rastelli, Jürgen Bajorath
      Pages 355-365
    3. Sinoy Sugunan, Rajanikant G. K.
      Pages 385-394
    4. Ivan Dimitrov, Ventsislav Yordanov, Darren R. Flower, Irini Doytchinova
      Pages 395-404
    5. Stefanie Kickinger, Eva Hellsberg, Sankalp Jain, Gerhard F. Ecker
      Pages 405-417
    6. Shubhandra Tripathi, Gaurava Srivastava, Ashok Sharma
      Pages 443-458
    7. Gaurava Srivastava, Ashish Tiwari, Ashok Sharma
      Pages 459-483
  5. Databases and Web Servers

    1. Front Matter
      Pages 485-485
    2. Abhilash Jayaraj, Ruchika Bhat, Amita Pathak, Manpreet Singh, B. Jayaram
      Pages 487-504
    3. Atul Tyagi, Mukti N. Mishra, Ashok Sharma
      Pages 505-513
  6. Special Topics

    1. Front Matter
      Pages 515-515
    2. Kavindra Kumar Kesari, Qazi Mohammad Sajid Jamal, Mohd. Haris Siddiqui, Jamal Mohammad Arif
      Pages 529-555
  7. Back Matter
    Pages 557-563

About this book


This detailed book showcases recent advances in computational design of multi-target drug candidates involving various ligand and structure-based strategies. Different chem-bioinformatic modeling strategies that can be applied for design of multi-target drugs as well as important databases and web servers in connection with multi-target drug design are also featured in this collection. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of key implementation advice that will aid researchers greatly in their laboratory pursuits. 

Authoritative and practical, Multi-Target Drug Design Using Chem-Bioinformatic Approaches seeks to aid all scientists working in the field of drug discovery research.


Cheminformatics Polypharmacology Computational modeling Drug discovery Multiple protein targets Rational drug design Pharmacophore modeling Chemometrics

Editors and affiliations

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

Bibliographic information

  • DOI
  • Copyright Information Springer Science+Business Media, LLC, part of Springer Nature 2019
  • Publisher Name Humana Press, New York, NY
  • eBook Packages Springer Protocols
  • Print ISBN 978-1-4939-8732-0
  • Online ISBN 978-1-4939-8733-7
  • Series Print ISSN 1557-2153
  • Series Online ISSN 1940-6053
  • Buy this book on publisher's site
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