Article (Scientific journals)
Targeting clinically-relevant metallo-β-lactamases: from high-throughput docking to broad-spectrum inhibitors
Brindisi, M.; Brogi, S.; Giovani, S. et al.
2016In Journal of Enzyme Inhibition and Medicinal Chemistry, 31, p. 98-109
Peer Reviewed verified by ORBi
 

Files


Full Text
68.pdf
Publisher postprint (931.58 kB)
Request a copy

All documents in ORBi are protected by a user license.

Send to



Details



Keywords :
Antibiotic resistance; Article; Escherichia coli; Anti-Bacterial Agents; Dose-Response Relationship, Drug; High-Throughput Screening Assays; Humans; Microbial Sensitivity Tests; Molecular Docking Simulation; Molecular Structure; Structure-Activity Relationship
Abstract :
[en] Metallo-β-lactamases (MBLs) represent one of the most important and widespread mechanisms of resistance to β-lactam antibiotics (including the life-saving carbapenems), against which no clinically useful inhibitors are currently available. We report herein a structure-based high-throughput docking (HTD) campaign on three clinically-relevant acquired MBLs (IMP-1, NDM-1 and VIM-2). The initial hit NF1810 (1) was optimized providing the broad-spectrum inhibitor 3i, which is able to potentiate the in vitro activity of cefoxitin on a VIM-2-producing E. coli strain. © 2016 Informa UK Limited, trading as Taylor & Francis Group.
Disciplines :
Biochemistry, biophysics & molecular biology
Microbiology
Author, co-author :
Brindisi, M.;  European Research Centre for Drug Discovery and Development (NatSynDrugs), University of Siena, Siena, Italy, Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy
Brogi, S.;  European Research Centre for Drug Discovery and Development (NatSynDrugs), University of Siena, Siena, Italy, Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy
Giovani, S.;  European Research Centre for Drug Discovery and Development (NatSynDrugs), University of Siena, Siena, Italy, Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy
Gemma, S.;  European Research Centre for Drug Discovery and Development (NatSynDrugs), University of Siena, Siena, Italy, Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy
Lamponi, S.;  European Research Centre for Drug Discovery and Development (NatSynDrugs), University of Siena, Siena, Italy, Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy
De Luca, F.;  Department of Medical Biotechnology, University of Siena, Siena, Italy
Novellino, E.;  Department of Pharmacy, University of Napoli Federico II, Napoli, Italy
Campiani, G.;  European Research Centre for Drug Discovery and Development (NatSynDrugs), University of Siena, Siena, Italy, Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy
Docquier, Jean-Denis ;  Université de Liège - ULiège > Département des sciences de la vie > Centre d'ingénierie des protéines
Butini, S.;  European Research Centre for Drug Discovery and Development (NatSynDrugs), University of Siena, Siena, Italy, Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy
Language :
English
Title :
Targeting clinically-relevant metallo-β-lactamases: from high-throughput docking to broad-spectrum inhibitors
Publication date :
2016
Journal title :
Journal of Enzyme Inhibition and Medicinal Chemistry
ISSN :
1475-6366
eISSN :
1475-6374
Publisher :
Taylor and Francis Ltd
Volume :
31
Pages :
98-109
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 19 November 2020

Statistics


Number of views
47 (3 by ULiège)
Number of downloads
1 (1 by ULiège)

Scopus citations®
 
21
Scopus citations®
without self-citations
10
OpenCitations
 
17

Bibliography


Similar publications



Contact ORBi