A practical guide to rational drug design

This book is not going to be an exhaustive survey covering all aspects of rational drug design. Instead, it is going to provide critical know-how through real-world examples. Relevant case studies will be presented and analyzed to illustrate the following: how to optimize a lead compound whether one...

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Bibliographic Details
Main Author Sun, Hongmao (Author)
Format Electronic eBook
LanguageEnglish
Published Amsterdam : Woodhead Publishing, an imprint of Elsevier, [2016]
SeriesWoodhead Publishing series in biomedicine ; no. 81.
Subjects
Drugs > Design.
Ligands.
elektronické knihy
electronic books
Online AccessFull text
ISBN9780081001059
0081001053
9780081000984
0081000987
Physical Description1 online resource : illustrations

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Table of Contents:
  • Part One: Structure-Based Ligand Design
  • Chapter 1. Structures, Limitations, and Pitfalls
  • Chapter 2. Structure-Based Ligand Design I: With Structures of Protein/Lead Compound Complex Available
  • Chapter 3. Structure-Based Ligand Design II: With Structure of Protein/Lead Compound Complex Unavailable
  • Chapter 4. Homology Modeling and Ligand-Based Molecule Design
  • Part Two: QSAR and ADMET Predictions
  • Chapter 5. Quantitative Structure-Activity Relationships: Promise, Validations, and Pitfalls
  • Chapter 6. Quantitative Structure-Property Relationships Models for Lipophilicity and Aqueous Solubility
  • Chapter 7. In Silico ADMET Profiling: Predictive Models for CYP450, P-gp, PAMPA, and hERG.

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