NIH Researchers Develop Drug Discovery Tool
A team of NIH researchers has developed a new software tool called AptaTRACE for drug developers and other scientists who want to identify molecules that bind with high precision to targets of interest. “This research is an excellent example of how the benefits of ‘big data’ critically depend upon the existence of algorithms that are capable of transforming such data into information,” said research leader Teresa Przytycka.
AptaTRACE is designed for use with High-Throughput Systematic Evolution of Ligands by Exponential Enrichment (HT-SELEX), a laboratory technique for identifying aptamers, which are short RNA or DNA molecules that are capable of binding with “high affinity and specificity to diverse biological targets,” an NIH release says. “Aptamers bind to their targets because of features of their sequence and structure that are complementary to the biochemical characteristics of the target’s surface. Possible targets of aptamers include small organic molecules, proteins or protein complexes, virus surfaces and entire cells. This broad range of targets makes aptamers candidates for a wide variety of applications, ranging from molecular biosensors to drug delivery systems to antibody replacement.”
The AptaTRACE tool analyzes these to find the common features (“motifs”) among the sequences that bind. “AptaTRACE is the first algorithm that uses the full scope of sequencing data from a large number of selection rounds to capture sequence and structure features of aptamers that bind to the target,” NIH says. Such information allows researchers to better understand why some molecules bind and others do not.
The tool can be downloaded from the National Center for Biotechnology Information at http://www.ncbi.nlm.nih.gov/CBBresearch/Przytycka/index.cgi#aptatools.