Burger s Medicinal Chemistry and Drug Discovery Drug Discovery 6th Edition by Donald J Abraham, Alfred Burger ISBN 9780471270904 by Donald J. Abraham 9780471270904, 0471270903 instant download after payment.

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ISBN 13: 9780471270904
Author: Donald J Abraham, Alfred Burger

This is Volume 1: Drug Discovery, of Burger's Medicinal Chemistry and Drug Discovery, 6th Edition. This new volume contains critical new chapters on Virtual Screening, Bioinformatics and Chemical Information Computing Systems in Drug Discovery.

Burger s Medicinal Chemistry and Drug Discovery Drug Discovery 6th Table of contents:

I. Introduction and Fundamental Concepts of Drug Discovery

• Historical Development of Medicinal Chemistry and Drug Discovery: Evolution of drug discovery, key milestones.
• The Drug Discovery Process: An Overview: From target identification to preclinical development.
• Role of Medicinal Chemistry in Drug Discovery: Principles and interdisciplinary nature.
• Ethical Considerations in Drug Discovery.

II. Target Identification and Validation

• Understanding Disease Biology: Pathophysiology and molecular mechanisms.
• Target Selection and Prioritization: Criteria for selecting a druggable target.
• Genomics, Proteomics, and Bioinformatics in Target Discovery: High-throughput approaches.
• Structural Biology and Target Validation: X-ray crystallography, NMR, cryo-EM in understanding target structure and function.

III. Lead Discovery and Optimization

• Sources of Lead Molecules:
  • Natural Products as Leads: Traditional and modern approaches to natural product screening.
  • Combinatorial Chemistry and Parallel Synthesis: High-throughput synthesis of compound libraries.
  • Fragment-Based Drug Discovery (FBDD): Principles and applications.
  • Peptide and Peptidomimetic Design: Designing drug-like molecules from peptides.
• High-Throughput Screening (HTS):
  • Assay Development and Screening Technologies.
  • Automation and Robotics in HTS.
  • Data Analysis and Hit Triage.
• Virtual Screening and Computational Approaches:
  • Ligand-Based Drug Design (LBDD): Pharmacophore modeling, QSAR.
  • Structure-Based Drug Design (SBDD): Docking, molecular dynamics, free energy calculations.
  • Cheminformatics and Chemical Space Exploration.
• Chirality and Biological Activity: Importance of stereochemistry in drug action.
• Analog Design and Structure-Activity Relationships (SAR): Iterative optimization of lead compounds.

IV. ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) in Early Drug Discovery

• Principles of Drug Metabolism (Biotransformation): Phase I and Phase II reactions.
• Drug Absorption, Distribution, and Elimination: Pharmacokinetic principles.
• In Vitro and In Vivo ADMET Profiling: Early assessment of drug-like properties.
• Predictive ADMET and Computational Approaches: Using computational models to predict pharmacokinetic and toxicological properties.
• Structural Alerts for Toxicity: Identifying problematic chemical functionalities.

V. Emerging Technologies and Future Directions in Drug Discovery

• Pharmacogenomics and Personalized Medicine: Tailoring drug therapy based on genetic profiles.
• New Modalities in Drug Discovery: Biologics (antibodies, gene therapy), RNA therapeutics.
• Artificial Intelligence and Machine Learning in Drug Discovery: Applications in target identification, lead optimization, and predictive modeling.
• Industrial-Academic Collaborations.

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Tags: Donald J Abraham, Alfred Burger, Burger, Chemistry