Thermodynamics and kinetics of drug binding

Bibliographic Details
Main Authors: Keseru, Gyorgy M. (Author), Swinney, David C. (Author)
Format: Book
Language:English
Published: Weinheim, Germany : Wiley-VCH , c2015
Series:Drug discovery in infectious diseases volume 65
Subjects:
Table of Contents:
  • 1. The binding thermodynamics of drug candidates
  • 2. Van't hoff based thermodynamics
  • 3. Computation of drug-binding thermodynamics
  • 4. Thermodynamics-guided optimizations in medicinal chemistry
  • 5. From molecular understanding to structure thermodynamic relationships, the case of acetylcholine binding proteins
  • 6. Thermodynamics in lead optimization
  • 7. Thermodynamic profiling of carbonic anhydrase inhibitors
  • 8. Drug target residence time
  • 9. Experimental methods to determine binding kinetics
  • 10. Challenges in the medicinal chemical optimization of binding kinetics
  • 11. Computational approaches for studying drug binding kinetics
  • 12. The use of structural information to understand binding kinetics
  • 13. Importance of drug target residence time at G protein-coupled receptors a case for the adenosine receptors
  • 14. Case study: angiotensin receptor Blockers (ARBs)
  • 15. The Kinetics and Thermodynamics of Staphylococcus aureus fabI inhibition
  • 16. Thermodynamics and binding kinetics in drug discovery