Portal de Periódicos da CAPES

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

2004; American Chemical Society; Volume: 47; Issue: 27 Linguagem: Inglês

10.1021/jm049222o

1520-4804

Michael H. Howard, Teodorica Cenizal, Steven Gutteridge, Wayne S. Hanna, Yong Tao, Maxim Totrov, Vernon A. Wittenbach, Ya‐Jun Zheng,

Chemical Synthesis and Analysis

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.