As a component of post-genome science, the field of proteomics has assumed great prominence in recent years. Whereas quantitative analyses focussed initially on relative quantification, a greater emphasis is now placed on absolute quantification and consideration of proteome dynamics. Coverage of the topic of quantitative proteomics requires consideration both of the analytical fundamentals of quantitative mass spectrometry and the specific demands of the problem being addressed.Qu...

This first systematic treatment of the concept and practice of scaffold hopping shows the tricks of the trade and provides invaluable guidance for the reader's own projects.The first section serves as an introduction to the topic by describing the concept of scaffolds, their discovery, diversity and representation, and their importance for finding new chemical entities. The following part describes the most common tools and methods for scaffold hopping, whether topological, shape-b...

New insights into the evolution and nature of proteinsExploring several distinct approaches, this book describes the methods for comparing protein sequences and protein structures in order to identify homologous relationships and classify proteins and protein domains into evolutionary families. Readers will discover the common features as well as the key philosophical differences underlying the major protein classification systems, including Pfam, Panther, SCOP, and CATH. Moreover,...

Unlike other handbooks in this emerging field, this guide focuses on the challenges and critical parameters in running a metabolomics study, including such often-neglected issues as sample preparation, choice of separation and detection method, recording and evaluating data as well as method validation. By systematically covering the entire workflow, from sample preparation to data processing, the insight and advice offered here helps to clear the hurdles in setting up and running a succes...

Using chips composed of thousands of spots, each with the capability of holding DNA molecules corresponding to a given gene, DNA microarray technology has enabled researchers to measure simultaneously gene expression across the genome. As with other large-scale genomics approaches, microarray technologies are broadly applicable across disciplines of life and biomedical sciences, but remain daunting to many researchers. This guide is designed to demystify the technology and inform more biol...

Discover an enhanced synthetic approach to developing and screening chemical compound librariesDiversity-oriented synthesis is a new paradigm for developing large collections of structurally diverse small molecules as probes to investigate biological pathways. This book presents the most effective methods in diversity-oriented synthesis for creating small molecule collections. It offers tested and proven strategies for developing diversity-oriented synthetic librar...

Focusing on the practical applications, this user-oriented guide presents current technologies and strategies for systems-level lipidanalysis, going beyond basic research to concentrate on commercial uses of lipidomics in biomarker and diagnostic development, as wellas within pharmaceutical drug discovery and development. The editor and authors have experience of the most recent analytical instruments and techniques, allowing them to provide here first-hand practical experien...

Mycotoxins - toxic secondary metabolites produced by mycotoxigenic fungi – pose a significant risk to the food chain. Indeed, they may be the most hazardous of all food contaminants in terms of chronic toxicity and legislative limits on their levels in food and feed continue to be developed worldwide. Rapid and reliable methods for the determination of both mycotoxigenic fungi and mycotoxins in food and feed are therefore essential. This book reviews current and emerging methods in this ar...

Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of n...

A new perspective on the design of molecular therapeutics is emerging. This new strategy emphasizes the rational complementation of functionality along extended patches of a protein surface with the aim of inhibiting protein/protein interactions. The successful development of compounds able to inhibit these interactions offers a unique chance to selectively intervene in a large number of key cellular processes related to human disease.Protein Surface Recognition presents a...

Explores both the benefits and limitations of new UHPLC technologyHigh performance liquid chromatography (HPLC) has been widely used in analytical chemistry and biochemistry to separate, identify, and quantify compounds for decades. The science of liquid chromatography, however, was revolutionized a few years ago with the advent of ultra-high performance liquid chromatography (UHPLC), which made it possible for researchers to analyze sample compounds with greater s...

Stressing strategic and technological solutions to medicinal chemistry challenges, this book presents methods and practices for optimizing the chemical aspects of drug discovery. Chapters discuss benefits, challenges, case studies, and industry perspectives for improving drug discovery programs with respect to quality and costs.• Focuses on small molecules and their critical role in medicinal chemistry, reviewing chemical and economic advantages, challenges, and trends in the field...