A practical guide to rational drug design /

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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
Call Number:Libro Electrónico
Main Author: Sun, Hongmao (Author)
Format: Electronic eBook
Language:Inglés
Published: Amsterdam : Woodhead Publishing, an imprint of Elsevier, [2016]
Series:Woodhead Publishing series in biomedicine ; no. 81.
Subjects:
Drugs > Design.
Ligands.
Drug Design
Ligands
Pharmacological Phenomena
M�edicaments > Conception.
MEDICAL > Pharmacology.
Drugs > Design
Online Access:Texto completo
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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