Decoy molecule

Borgatti M., Lampronti 1., Romanelli A., Pedone C., Saviano M., Bianchi N., Mischiati C, Gambari R. Transcription factor decoy molecules based on a peptide nucleic acid (PNA)-DNA chimera mimicking Spl binding sites./. Biol. Chem. 2003 278 7500-7509. 

Crinelli, R. et al. (2010) Oxidized ultrashort nanotubes as carbon scaffolds for the construction of cell-penetrating NF-kappa B decoy molecules. ACS Nano, 4 (5), 2791-2803. 

These conclusions are also supported by the presented examples, but some additional trends should be pointed out. Effective virtual screening today includes a multitude of approaches, often applied in a sequential manner or integrated within a flexible workflow. There is no unique protocol for every virtual screening task -every problem is unique and requires careful validation, filtering, and parameterization in the beginning to result in a protocol with the potential to yield valuable hit lists after productive application to large databases. Extensive validation based on sample databases of known actives and decoy molecules is essential. 

Kawakami N, Shoji O, Watanabe Y (2013) Direct hydroxylation of primary carbons in small alkanes by wild-type cytochrome P450BM3 containing per-fluorocarboxylic acids as decoy molecules. Chem Sci 4 2344-2348... 

Shoji O, Kunimatsu T, Kawakami N, Watanabe Y (2013) Highly selective hydroxylation of benzene to phenol by wild-type cytochrome P450BM3 assisted by decoy molecules. Angew Chem Int Ed 52 6606-6610... 

A unique approach to ejq)and substrate spectra of P450s to noimatural compounds without mutagenesis or substrate engineering has been described [144]. Substrate-like decoy molecules were employed to extend the substrate spectrum of the natural fatly acid perojgrgenase CYP152A1 (P450g3p) from Bacillus subtilis. The decoy molecule (a short chain fatty acid) is able... 

P450s are often low. A recent report describes using chiral carboxylic acids as decoy molecules to enhance the stereoselectivity of a H202-dependent cytochrome P450gptt in the epoxidation of styrene. The presence of (R)-ibuprofen dramatically increas enantiopurity of (S)-epoxide to 63 and 88% ee for the wild type and the F288G mutant, respectively [111]. 

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