Books in the Methods & Principles in Medicinal Chemistry series

Key content for every medicinal chemist: The understanding of ligand-target interactions is the basic skill that every medicinal chemist needs.

A timely and topical survey of modern simulation tools and their applications in realΓÇôlife drug discovery, allowing for better and quicker results in structureΓÇôbased drug design. The first part of this practical guide for industry professionals describes common tools used in the biomolecular simulation of drugs and their targets. A critical analysis of the accuracy of the predictions, the integration of modeling with other experimental data combined with numerous case studies from different therapeutic fields enable users to quickly adopt these new methods for their current projects. The second part then shows how these tools can be applied to drug discovery and development projects. Modeling experts from the pharmaceutical industry and from leading academic institutions present realΓÇôlife examples for important target classes such as GPCRs, kinases and amyloids as well as for common challenges in structureΓÇôbased drug discovery. With its inclusion of novel methods and strategies for the modeling of drugΓÇôtarget interactions in the framework of realΓÇôlife drug discovery and development, this applicationΓÇôoriented reference is tailorΓÇômade for medicinal chemists and those working in the pharmaceutical industry.

As opposed to other books on the topic, this volume is unique in also covering emerging transporter targets. Following a general introduction to the importance of targeting transporter proteins with drugs, the book systematically presents individual transporter classes and explains their pharmacology and physiology.

The secret of success in drug discovery written by the pioneers in the field with unrivaled experience in fragment-based methods. In this handbook, the first-hand knowledge imparted by the world's leading experts provides a comprehensive overview of current methods and applications of fragment-based discovery.

The complete picture of methods and strategies in industrial and academic lead finding and optimization, covering standard as well as novel approaches and highlighting their strengths and weaknesses. Includes several case studies of recent successful lead generation projects.

Written by the pioneers of the sildenafil (Viagra) phosphodiesterase inhibitor drug, this timely reference discusses emerging applications of novel PDE inhibitors in a variety of disease fields with contributions from major pharmaceutical companies.

Treating protein-protein interactions as a novel and highly promising class of drug targets, this volume introduces the underlying strategies step by step, from the biology of PPIs to biophysical and computational methods for their investigation.

Drug discovery is all about finding small molecules that interact in a desired way with larger molecules, namely proteins and other macromolecules in the human body. If the three-dimensional structures of both the small and large molecule are known, their interaction can be tested by computer simulation with a reasonable degree of accuracy.

A concise introduction to the parameters and processes governing the absorption, distribution and retention of drug compounds in the body, now expanded to cover prodrugs, antitumor drugs and predictive approaches.

This topical reference and handbook addresses the chemistry, pharmacology, toxicology and the patentability of prodrugs, perfectly mirroring the integrated approach prevalent in today's drug design.

This practical referene for drug developers addresses the most common antitarget-related side effects, including hepatic, cardiovascular, kinase- and GPCR-mediated toxicity. Current strategies how to manage side effects as well as several case studies are included.

Explains the identification of molecular targets via cellular assays, reporter genes or transgenic models. This title also presents a survey of the advances in the synthesis, separation and analysis of drugs. It also contains a special section devoted to molecular genetics methods.

Combinatorial chemistry is a revolutionary method, which allows you to synthesize millions of compounds within a few steps and in a very short amount of time. Millions of products, e.g. potential drugs, can be analyzed in one go, so that you know very fast if one or a few substances in your product mixture show biological activity.

By addressing both drug efficiency and drug safety, this modern practical reference shows how each aspect shapes the key decisions for assessing the risk/benefit ratio of any novel compound during the early drug development stages, using both in vitro and in silico methods.