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| HAL : hal-00750002, version 1 |
| PubMed : 23053735 |
| PubMed Central : 3482460 |
| DOI : 10.1007/s10822-012-9608-4 |
| Fiche détaillée |  Récupérer au format |
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| Journal of Computer-Aided Molecular Design 26, 10 (2012) 1187-94 |
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| A new fingerprint to predict nonribosomal peptides activity. |
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| Ammar Abdo 1, 2Ségolène Caboche 1, 2 |
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| (10/2012) |
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| Bacteria and fungi use a set of enzymes called nonribosomal peptide synthetases to provide a wide range of natural peptides displaying structural and biological diversity. So, nonribosomal peptides (NRPs) are the basis for some efficient drugs. While discovering new NRPs is very desirable, the process of identifying their biological activity to be used as drugs is a challenge. In this paper, we present a novel peptide fingerprint based on monomer composition (MCFP) of NRPs. MCFP is a novel method for obtaining a representative description of NRP structures from their monomer composition in fingerprint form. Experiments with Norine NRPs database and MCFP show high prediction accuracy (>93 %). Also a high recall rate (>82 %) is obtained when MCFP is used for screening NRPs database. From this study it appears that our fingerprint, built from monomer composition, allows an effective screening and prediction of biological activities of NRPs database. |
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| 1 : | Laboratoire d'Informatique Fondamentale de Lille (LIFL) |
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CNRS : UMR8022 – Université Lille I - Sciences et technologies – Université Lille III - Sciences humaines et sociales – INRIA |
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| 2 : | BONSAI (INRIA Lille - Nord Europe) |
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CNRS : UMR8022 – Université Lille I - Sciences et technologies – INRIA |
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| 3 : | Laboratoire des Procédés Biologiques Génie Enzymatique et Microbien (PROBIOGEM) |
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Fédération Universitaire et Polytechnique de Lille – Université Lille I - Sciences et technologies |
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| Domaine | : | Informatique/Bio-informatique Sciences du Vivant/Bio-Informatique, Biologie Systémique Chimie/Chemo-informatique |
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| Nonribosomal peptides – Target Prediction – Similarity searching – Drug discovery |
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| Liste des fichiers attachés à ce document : | |||||
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| hal-00750002, version 1 | |
| http://hal.archives-ouvertes.fr/hal-00750002 | |
| oai:hal.archives-ouvertes.fr:hal-00750002 | |
| Contributeur : Maude Pupin | |
| Soumis le : Jeudi 8 Novembre 2012, 17:41:01 | |
| Dernière modification le : Samedi 10 Novembre 2012, 08:32:44 | |
