G. Keseru – Thermodynamics and Kinetics of Drug Binding (2015)

Автор: G. Keseru
Название книги: Thermodynamics and Kinetics of Drug Binding
Формат: PDF
Жанр: Медицина
Страницы: 361
Качество: Изначально компьютерное, E-book

This practical reference for medicinal and pharmaceutical chemists combines the theoretical background with modern methods as well as applications from recent lead finding and optimization projects.
Divided into two parts on the thermodynamics and kinetics of drug-receptor interaction, the text provides the conceptual and methodological basis for characterizing binding mechanisms for drugs and other bioactive molecules. It covers all currently used methods, from experimental approaches, such as ITC or SPR, right up to the latest computational methods. Case studies of real-life lead or drug development projects are also included so readers can apply the methods learned to their own projects. Finally, the benefits of a thorough binding mode analysis for any drug development project are summarized in an outlook chapter written by the editors.
Contents
Thermodynamics
The Binding Thermodynamics of Drug Candidates
van’t Hoff Based Thermodynamics
Computation of Drug-Binding Thermodynamics
Thermodynamics-Guided Optimizations in Medicinal Chemistry
From Molecular Understanding to Structure–Thermodynamic Relationships, the Case of Acetylcholine Binding Proteins
Thermodynamics in Lead Optimization
Thermodynamic Profiling of Carbonic Anhydrase Inhibitors
Kinetics
Drug–Target Residence Time
Experimental Methods to Determine Binding Kinetics
Challenges in the Medicinal Chemical Optimization of Binding Kinetics
Computational Approaches for Studying Drug Binding Kinetics
The Use of Structural Information to Understand Binding Kinetics
Importance of Drug–Target Residence Time at G Protein-Coupled Receptors – a Case for the Adenosine Receptors
Case Study: Angiotensin Receptor Blockers (ARBs)
The Kinetics and Thermodynamics of Staphylococcusaureus FabI Inhibition
Perspective
Thermodynamics and Binding Kinetics in Drug Discovery