Combinatorial Chemistry & High Throughput Screening - Volume 13, Issue 5, 2010

First and foremost, I extend my sincerest appreciation to Richard B. van Breeman, the Editor-in-Chief for the past dozen years, for his hard work and dedication in heralding Combinatorial Chemistry & High Throughput Screening to a highly respected place in the annals of publications related to biomolecular screening. As he aptly said in his editorial on the tenth anniversary of this publication, CCHTS occupies ‘a unique position Read More

The identification of clones expressing high levels of recombinant protein in Pichia pastoris is usually dependent upon SDS-PAGE, Western blotting, or bioactivity-based assays that are labor and time-consuming. We describe a rapid method that images green fluorescence protein (GFP) of individual P. pastoris clones transformed with vectors that express the proteins as GFP C- terminal fusion. In this report we have used th Read More

DNA is a valid drug target for development of target-based therapeutics against cancer. Screening DNA-targeted anticancer drugs is a key process for the research and development of new anticancer drugs. The traditional anticancer drug screening methods, including animal experiments and cell-based screening assays, have unavoidable drawbacks. In this contribution, the new instrument-based screening assay for DNA-targe Read More

A library of 117 ligands was combined with three transition metals Ru, Rh and Ir and screened with three different operating conditions for the asymmetric H-transfer reduction of acetophenone into phenylethanol. The combinatorial approach was based on evolution of a first library containing 60 ligands. For the evolution, operators such as replication, regression, cross-over and mutation were used. The study was pe Read More

Pharmaceutical companies are being forced by market competition to find new ways of novel drug target screening instead of traditional methods. The completion of human genome sequencing has provided a flood of new information that might help identify potential drug targets. Finding promising novel drug targets from this flood of information remains challenging. For de novo target screening, the interactions between Read More

In the one-bead-one-compound (OBOC) combinatorial method, compounds are constructed on bead resin via split-mix library synthesis such that multiple copies of the same compound are displayed on each bead. These libraries are rapidly screened with enzyme-linked colorimetric, fluorescent, radiometric, or whole-cell binding assays. While fluorescence-based probes are powerful tools in OBOC screening, their utilit Read More

High throughput screening (HTS) remains a very costly process notwithstanding many recent technological advances in the field of biotechnology. In this study we consider the application of machine learning methods for predicting experimental HTS measurements. Such a virtual HTS analysis can be based on the results of real HTS campaigns carried out with similar compounds libraries and similar drug targets. In this way, we Read More

Virtual screening (VS) is presently a key component in the process of drug design and development. VS is normally regarded as the selection of likely drug candidates from large libraries of chemical structures by using computational methodologies. However, the generic definition of VS is significantly wider and may encompass many different methods. This review tries to present a comprehensive overview of the virtual sc Read More