By a News Reporter-Staff News Editor at Life Science Weekly -- Investigators publish new report on Life Science Research. According to news reporting from Poznan, Poland, by NewsRx journalists, research stated, "RNA molecules have recently become attractive as potential drug targets due to the increased awareness of their importance in key biological processes. The increase of the number of experimentally determined RNA 3D structures enabled structure-based searches for small molecules that can specifically bind to defined sites in RNA molecules, thereby blocking or otherwise modulating their function."
The news correspondents obtained a quote from the research from Adam Mickiewicz University, "However, as of yet, computational methods for structure-based docking of small molecule ligands to RNA molecules are not as well established as analogous methods for protein-ligand docking. This motivated us to create LigandRNA, a scoring function for the prediction of RNA-small molecule interactions. Our method employs a grid-based algorithm and a knowledge-based potential derived from ligand-binding sites in the experimentally solved RNA-ligand complexes. As an input, LigandRNA takes an RNA receptor file and a file with ligand poses. As an output, it returns a ranking of the poses according to their score. The predictive power of LigandRNA favorably compares to five other publicly available methods. We found that the combination of LigandRNA and Dock6 into a 'meta-predictor' leads to further improvement in the identification of near-native ligand poses."
According to the news reporters, the research concluded: "The LigandRNA program is available free of charge as a web server at http://ligandrna.genesilico.pl."
For more information on this research see: LigandRNA: computational predictor of RNA-ligand interactions. Rna-A Publication of the RNA Society, 2013;19(12):1605-1616. Rna-A Publication of the RNA Society can be contacted at: Cold Spring Harbor Lab Press, Publications Dept, 1 Bungtown Rd, Cold Spring Harbor, NY 11724, USA (see also Life Science Research).
Our news journalists report that additional information may be obtained by contacting A. Philips, Adam Mickiewicz Univ, Fac Biol, Inst Mol Biol & Biotechnol, Lab Struct Bioinformat, PL-61614 Poznan, Poland. Additional authors for this research include K. Milanowska, G. Lach and J.M. Bujnicki.
Keywords for this news article include: Poznan, Poland, Europe, Life Science Research
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