In Silico Models for Drug Discovery

  • Sandhya Kortagere

Part of the Methods in Molecular Biology book series (MIMB, volume 993)

Table of contents

  1. Front Matter
    Pages i-xii
  2. Markus Lill
    Pages 1-12
  3. Malabika Sarker, Carolyn Talcott, Amit K. Galande
    Pages 13-30
  4. Hong Sun, Hai-Feng Chen, Runsheng Chen
    Pages 31-38
  5. Segun Fatumo, Marion Adebiyi, Ezekiel Adebiyi
    Pages 39-65
  6. Ichigaku Takigawa, Koji Tsuda, Hiroshi Mamitsuka
    Pages 67-80
  7. John E. Kerrigan
    Pages 95-113
  8. Yongqun He, Zuoshuang Xiang
    Pages 115-127
  9. Hifzur Rahman Ansari, Gajendra P. S. Raghava
    Pages 129-138
  10. Sean Ekins, Barry A. Bunin
    Pages 139-154
  11. Ting-Lan Chiu, Kimberly M. Maize, Elizabeth A. Amin
    Pages 177-184
  12. Asim K. Debnath
    Pages 185-204
  13. Kristen M. Bullard, Robert Kirk DeLisle, Susan M. Keenan
    Pages 205-229
  14. Özlem Demir, Rommie E. Amaro
    Pages 231-243
  15. Sean Ekins, Joel S. Freundlich
    Pages 245-262
  16. Back Matter
    Pages 263-265

About this book


Infectious diseases caused by viruses, parasites, bacteria, and fungi are the number one cause of death worldwide. Although new technologies have improved diagnosis of infectious diseases, the efficacy of all known current anti-infective agents is threatened by the spread of drug-resistant forms of the pathogens. Hence, there remains an urgent need to develop anti-infective agents that target drug-resistant pathogens. In Silico Models for Drug Discovery presents a comprehensive look at the role in silico models play in understanding infectious diseases and in developing novel therapeutics to treat them. Written by leading experts in the field, chapters cover topics such as techniques to derive novel antimicrobial targets, methods of interpreting polypharmacology-based drug target networks, and molecular dynamics techniques used to compute binding energies of drugs to their target proteins, to name a few. Written in the successful Methods in Molecular Biology™ series or in review article format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls.


Authoritative and easily accessible, In Silico Models for Drug Discovery seeks to serve both professionals and novices involved in the study and treatment of infectious diseases.


antimicrobial targets drug design drug discovery drug resistance novel inhibitors

Editors and affiliations

  • Sandhya Kortagere
    • 1
  1. 1., Dept. of Microbiology & ImmunologyDrexel University College of MedicinePhiladelphiaUSA

Bibliographic information

  • DOI
  • Copyright Information Springer Science+Business Media, LLC 2013
  • Publisher Name Humana Press, Totowa, NJ
  • eBook Packages Springer Protocols
  • Print ISBN 978-1-62703-341-1
  • Online ISBN 978-1-62703-342-8
  • Series Print ISSN 1064-3745
  • Series Online ISSN 1940-6029
  • Buy this book on publisher's site