Combinatorial Chemistry & High Throughput Screening - Volume 13, Issue 3, 2010

Fingerprint representations of molecular structure and properties were among the first computational tools for similarity searching and are widely applied to this date, which is in part due to their computational efficiency and ease-ofuse. Moreover, despite their simplicity, 2D molecular fingerprints have been surprisingly successful in identifying novel active compounds. However, properly applying 2D fingerprint represen Read More

The miniaturisation of high throughput screening (HTS) assays has been a widely debated and researched strategy with the aims of reducing screening costs and increasing speed while not compromising data quality. In this context, liquid handling technologies continue to be improved. A new and promising development is the emergence of nanolitre dispensers, which are capable of direct compound transfer to assay micr Read More

High throughput immunoprecipitation studies of transcription factors and splicing factors have revolutionized the fields of transcription and splicing. Recent location studies on Nova1/2 and Fox2 have identified a set of cellular targets of these splicing factors. One problem with identifying binding sites for splicing factors arises from the transient role of RNA in gene expression. The primary role of most splicing factors is to bind pre- Read More

The capacity to rapidly and efficiently elucidate a reliable set of disease specific biomarkers is paramount to enable a future of personalized medicine. High throughput screening methods applied to human clinical samples for the discovery of diagnostic, prognostic, and therapeutic targets address this need. Although the ability to analyze either thousands of markers from one sample or one marker from thousands o Read More

Using computer-assisted combinatorial chemistry techniques, we have designed a virtual library of antiinfluenza agents, analogs of inhibitor A-315675, containing a novel pyrrolidine core, which effectively inhibits both wild type and common oseltamivir-resistant mutant forms of the neuraminidase (NA) subtype N1 of avian influenza virus H5N1. A target-specific Potential of Mean Force (PMF) scoring function paramete Read More

The aim of this study was to screen for acetylcholinesterase (AChE) inhibitors from a large chemical library of commercially available compounds. For this purpose, the Ellman's reaction based assay was miniaturized into 384-well plate format, and two modifications of the kinetic protocol were studied with the aim of developing a rapid screening platform that could ensure high efficiency in finding true hits. It was proven that wh Read More

The growing drug resistance of Plasmodia spp. to current antimalarial agents in the quinine and artemisinin families further asserts the need for novel drug classes to combat malaria infection. One approach to the discovery of new antimalarials is the screening of natural product extracts for activity against the formation of hemozoin, a biomineral essential to parasite survival. By mimicking the in vivo lipid-water interface at w Read More

In the family of biologically active heterocyclic templates, quinoxalines, quinoxalinones, and quinoxalinols have received much attention owing to a wide range of their biological activities. As a consequence, approaches to the combinatorial synthesis of these compounds were surveyed, and this review discusses the solid-phase, solution-phase, solvent-free, and microwave-assisted parallel synthesis of quinoxalines, quinoxalinones Read More