Bioinformatics and Drug Discovery

ISBN-13: 9781493990887 / Angielski / Twarda / 2019 / 324 str.

Opis

This third edition volume expands on the previous editions with new topics that cover drug discovery through translational bioinformatics, informatics, clinical research informatics, as well as clinical informatics. The chapters discuss new methods to study target identification, genome analysis, cheminformatics, protein analysis, and text mining. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials, software workflows, reagents and on-line resources, together with step-by-step, readily reproducible laboratory and computational protocols, and tips on troubleshooting and avoiding known pitfalls.Cutting-edge and thorough, Bioinformatics and Drug Discovery, Third Edition is a valuable resource for anyone interested in drug design, including academicians (biologists, informaticists and data scientists, chemists, and biochemists), clinicians, and pharmaceutical scientists.

Spis treści

Preface…
Table of Contents…
Contributing Authors…

Part I Translational Bioinformatics in Drug Discovery

1. Miniaturized Checkerboard Assays to Measure Antibiotic Interactions
Melike Cokol-Cakmak and Murat Cokol 

2. High-Throughput Screening for Drug Combinations
Paul Shinn, Lu Chen, Marc Ferrer, Zina Itkin, Carleen Klumpp-Thomas, Crystal McKnight, Sam Michael, Tim Mierzwa, Craig Thomas, Kelli Wilson, Rajarshi Guha

3. Post-Processing of Large Bioactivity Data
Jason Bret Harris

4. How to Develop a Drug Target Ontology: KNowledge Acquisition and Representation Methodology (KNARM)
Hande Küçük-McGinty, Ubbo Visser, and Stephan Schürer S.

Part II Informatics in Drug Discovery

5. A Guide to Dictionary-Based Text Mining
Helen V. Cook and Lars Juhl Jensen 

6. Leveraging Big Data to Transform Drug Discovery
Benjamin S. Glicksberg, Li Li, Rong Chen, Joel T. Dudley, and Bin Chen

7. How to Prepare a Compound Collection Prior to Virtual Screening
Cristian G. Bologa, Oleg Ursu, and Tudor I. Oprea

8. Building a Quantitative Structure-Property Relationship (QSPR) Model
Robert D. Clark and Pankaj R. Daga

9. Isomeric and Conformational Analysis of Small Drug and Drug-Like Molecules by Ion Mobility Mass Spectrometry (IM-MS)
Shawn T. Phillips, James N. Dodds, Jody C. May, and John A. McLean

Part III Clinical Research Informatics in Drug Discovery

10. A Computational Platform and Guide for Acceleration of Novel Medicines and Personalized Medicine
Ioannis N. Melas, Theodore Sakellaropoulos, Junguk Hur, Dimitris Messinis, Ellen Y. Guo, Leonidas G. Alexopoulos, Jane P.F. Bai 

11. Omics Data Integration and Analysis for Systems Pharmacology
Hansaim Lim and Lei Xie 

12. Bioinformatics Based Tools and Software in Clinical Research: A New Emerging Area
Parveen Bansal, Malika Arora, Vikas Gupta, and Mukesh Maithani 

13. Text Mining for Drug Discovery
Si Zheng, Shazia Dharssi, Meng Wu, Jiao Li, Zhiyong Lu 

Part IV Clinical Informatics in Drug Discovery

14. Big Data Cohort Extraction for Personalized Statin Treatment and Machine Learning
Terrence J. Adam and Chih-Lin Chi 

15. Drug Signature Detection Based on L1000 Genomic and Proteomic Big Data
Wei Chen and Xiaobo Zhou 

16. Drug Effect Prediction by Integrating L1000 Genomic and Proteomic Big Data
Wei Chen and Xiaobo Zhou 

17. A Bayesian Network Approach to Disease Subtype Discovery
Mei-Sing Ong