A Novel Class of Inhibitors of Peptide Deformylase Discovered through High-Throughput Screening and Virtual Ligand Screening

Peptide deformylase (PDF) has been identified as a promising antibacterial and herbicide target. A structurally novel class of inhibitors containing a 2-thioxo-thiazolidin-4-one heterocycle substituted by an arylidene group at the 5-position and a hexanoic acid side chain at the 3-position was disco...

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Bibliographic Details
Published in:Journal of medicinal chemistry 2004-12, Vol.47 (27), p.6669-6672
Main Authors: Howard, Michael H, Cenizal, Teodorica, Gutteridge, Steven, Hanna, Wayne S, Tao, Yong, Totrov, Maxim, Wittenbach, Vernon A, Zheng, Ya-jun
Format: Article
Language:English
Subjects:
Amidohydrolases - antagonists & inhibitors
Amidohydrolases - chemistry
Antibacterial agents
Antibiotics. Antiinfectious agents. Antiparasitic agents
Biological and medical sciences
Drug Design
Enzyme Inhibitors - chemical synthesis
Enzyme Inhibitors - pharmacology
Ligands
Medical sciences
Pharmacology. Drug treatments
Structure-Activity Relationship
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Summary:Peptide deformylase (PDF) has been identified as a promising antibacterial and herbicide target. A structurally novel class of inhibitors containing a 2-thioxo-thiazolidin-4-one heterocycle substituted by an arylidene group at the 5-position and a hexanoic acid side chain at the 3-position was discovered independently via high-throughput screening and virtual ligand screening. Data mining and analogue synthesis established a structure−activity relationship for the side chain region that is consistent with the docked structure.
ISSN:0022-2623
1520-4804
DOI:10.1021/jm049222o