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Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening.

Abstract：

:The elongation condensing enzymes in the bacterial fatty acid biosynthesis pathway represent desirable targets for the design of novel, broad-spectrum antimicrobial agents. A series of substituted benzoxazolinones was identified in this study as a novel class of elongation condensing enzyme (FabB and FabF) inhibitors using a two-step virtual screening approach. Structure activity relationships were developed around the benzoxazolinone scaffold showing that N-substituted benzoxazolinones were most active. The benzoxazolinone scaffold has high chemical tractability making this chemotype suitable for further development of bacterial fatty acid synthesis inhibitors.

journal_name

Bioorg Med Chem Lett

journal_title

Bioorganic & medicinal chemistry letters

authors

Zheng Z,Parsons JB,Tangallapally R,Zhang W,Rock CO,Lee RE

doi

10.1016/j.bmcl.2014.03.033

subject

Has Abstract

pub_date

2014-06-01 00:00:00

pages

2585-8

issue

11

eissn

0960-894X

issn

1464-3405

pii

S0960-894X(14)00249-2

journal_volume

24

pub_type

杂志文章

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