数据库

Steady-state measurements of fluorescence polarization have been widely adopted in the field of high-throughput screening for the study of biomolecular interactions. This chapter reviews the basic theory of fluorescence polarization, the underlying principle for using flu ...

Enzymes continue to be a major drug target class for the pharmaceutical industry with high-throughput screening the approach of choice for identifying initial active chemical compounds. The development of fluorescent- or absorbance-based readouts typically remains the forma ...

The ability to accurately and efficiently manage inventory is critical to ensure cost-effectiveness and guarantee integrity of samples in drug discovery. While many large companies utilise both customised and off-the-shelf automated systems for compound library management, ...

The creation of a high-throughput screening facility within an organization is a difficult task, requiring a substantial investment of time, money, and organizational effort. Major issues to consider include the selection of equipment, the establishment of data analysis methodol ...

HTS is at the core of the drug discovery process, and so it is critical to design and implement HTS assays in a comprehensive fashion involving scientists from the disciplines of biology, chemistry, engineering, and informatics. This requires careful analysis of many variables, starting with ...

Traditionally, the objective of high-throughput screening (HTS) has been to identify compounds that interact with a defined target protein as the starting point for a chemistry lead optimisation programme. To enable this it has become commonplace to express the drug target in a recombina ...

Whole-cell voltage clamp electrophysiology using glass patch pipettes (1) is regarded as the gold standard for measurement of compound activity on ion channels. Despite the high quality of the data generated by this method, in its traditional format, patch clamping has limited use in drug sc ...

Technologies and experimental strategies have improved dramatically in the field of genomics and proteomics facilitating analysis of cellular and biochemical processes, as well as of proteins networks. Based on numerous such analyses, there has been a significant increase of pub ...

The Reactome Knowledgebase is an online, manually curated resource that provides an integrated view of the molecular details of human biological processes that range from metabolism to DNA replication and repair to signaling cascades. Its data model allows these diverse processes to be ...

The protein ontology (PRO) is designed as a formal and well-principled open biomedical ontologies (OBO) foundry ontology for proteins. The components of PRO extend from the classification of proteins, on the basis of evolutionary relationships at the full-length level, to the represen ...

A novel structure-based approach to study the structure and dynamics of flexible multi-domain monomeric protein kinases, which otherwise do not yield diffraction quality crystals, is described. A combination of segmental 15N-isotopic labeling of a regulatory domain with site-d ...

Nuclear magnetic resonance (NMR) techniques are widely used in the drug discovery process. The primary feature exploited in these investigations is the large difference in mass between drugs and receptors (usually proteins) and the effect that this has on the rotational or translation ...

It is increasingly clear that both transient and long-lasting interactions between biomacromolecules and their molecular partners are the most fundamental of all biological mechanisms and lie at the conceptual heart of protein function. In particular, the protein-binding site is ...

Virtual and high-throughput screening are time-saving techniques that have been successfully applied to identify novel chemotypes in biologically active molecules. Both methods require the ability to aptly handle large numbers of chemicals prior to an experiment or acquisiti ...

In the last 10 yr, efforts have begun to combine the goals and approaches of computational molecular design and protein sequence analysis to provide tools for the rational mutagenesis and functional modification of proteins. These approaches use analysis of the three-dimensional str ...

In the past 10 yr, the field of bioinformatics has been characterized by the mapping of many genomes. These efforts have stimulated explosive development of novel bioinformatics and experimental approaches to predict the functions and metabolic role of the new proteins. The main applica ...

Gene identification followed by determination of the expression of genes in a given disease and understanding of the function of the gene products is central to the drug discovery process. The ability to associate a specific gene with a disease can be attributed primarily to the extraordinary ...

Microarrays offer a powerful approach to the analysis of gene expression that can be used for a wide variety of experimental purposes. However, several types of microarray platforms are available. In addition, microarray experiments are expensive and generate complicated data sets th ...

Powerful new methods, such as expression profiles using cDNA arrays, have been used to monitor changes in gene expression levels as a result of a variety of metabolic, xenobiotic, or pathogenic challenges. This potentially vast quantity of data enables, in principle, the dissection of the com ...

DNA microarray analyzes genome-wide gene expression patterns and is used in many areas including drug discovery and clinical applications. This chapter summarizes some of these applications such as identification and validation of anti-infective drug target, study mechanisms ...