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EnglishPyridoxal 5′-phosphate (PLP) dependent enzymes comprise a large family that plays key roles in amino acid metabolism and are acquiring an increasing interest as drug targets. For the identification of compounds inhibiting PLP-dependent enzymes, a chemogenomics-based approach has been adopted in this work. Chemogenomics exploits the information coded in sequences and three-dimensional structures to define pharmacophore models. The analysis was carried out on a dataset of 65 high-resolution PLP-dependent enzyme structures, including representative members of four-fold types. Evolutionarily conserved residues relevant to coenzyme or substrate binding were identified on the basis of sequence-structure comparisons. A dataset was obtained containing the information on conserved residues at substrate and coenzyme binding site for each representative PLP-dependent enzyme. By linking coenzyme and substrate pharmacophores, bifunctional pharmacophores were generated that will constitute the basis for future development of small inhibitors targeting specific PLP-dependent enzymes. Read More: http://informahealthcare.com/doi/abs/10.3109/14756366.2011.643305
Chemogenomics of pyridoxal 5'-phosphate dependent enzymes / Singh, R; Spyrakis, F; Cozzini, P; Paiardini, Alessandro; Pascarella, Stefano; Mozzarelli, A.. - In: JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY. - ISSN 1475-6366. - STAMPA. - 28:1(2013), pp. 183-194. [10.3109/14756366.2011.643305]
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| Titolo: | Chemogenomics of pyridoxal 5'-phosphate dependent enzymes. | |
| Autori: | ||
| Data di pubblicazione: | 2013 | |
| Rivista: | ||
| Citazione: | Chemogenomics of pyridoxal 5'-phosphate dependent enzymes / Singh, R; Spyrakis, F; Cozzini, P; Paiardini, Alessandro; Pascarella, Stefano; Mozzarelli, A.. - In: JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY. - ISSN 1475-6366. - STAMPA. - 28:1(2013), pp. 183-194. [10.3109/14756366.2011.643305] | |
| Handle: | http://hdl.handle.net/11573/434272 | |
| Appartiene alla tipologia: | 01a Articolo in rivista |
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