Computational Redesign of Bacterial Biotin Carboxylase Inhibitors Using Structure-Based Virtual Screening of Combinatorial Libraries

Computational Redesign of Bacterial Biotin Carboxylase Inhibitors Using Structure-Based Virtual Screening of Combinatorial Libraries

As the spread of antibiotic resistant bacteria steadily increases, there is an urgent need for new antibacterial agents. Because fatty acid synthesis is only used for membrane biogenesis in bacteria, the enzymes in this pathway are attractive targets for antibacterial agent development. Acetyl-CoA c...

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Bibliographic Details
Main Authors: Michal Brylinski, Grover L. Waldrop
Format: Article
Language:English
Published: MDPI AG 2014-04-01
Series:Molecules
Subjects:
biotin carboxylase
acetyl-CoA carboxylase
biotin carboxylase inhibitors
amino-oxazole
combinatorial chemistry
cheminformatics
ligand docking
virtual screening
eSimDock
Online Access:http://www.mdpi.com/1420-3049/19/4/4021

Internet

http://www.mdpi.com/1420-3049/19/4/4021

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