
Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening.
Publication
, Journal Article
Zheng, Z; Parsons, JB; Tangallapally, R; Zhang, W; Rock, CO; Lee, RE
Published in: Bioorg Med Chem Lett
June 1, 2014
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.
Duke Scholars
Published In
Bioorg Med Chem Lett
DOI
EISSN
1464-3405
Publication Date
June 1, 2014
Volume
24
Issue
11
Start / End Page
2585 / 2588
Location
England
Related Subject Headings
- Structure-Activity Relationship
- Molecular Structure
- Models, Molecular
- Microbial Sensitivity Tests
- Medicinal & Biomolecular Chemistry
- Fatty Acid Synthase, Type II
- Escherichia coli Proteins
- Escherichia coli
- Enzyme Inhibitors
- Drug Evaluation, Preclinical
Citation
APA
Chicago
ICMJE
MLA
NLM
Zheng, Z., Parsons, J. B., Tangallapally, R., Zhang, W., Rock, C. O., & Lee, R. E. (2014). Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening. Bioorg Med Chem Lett, 24(11), 2585–2588. https://doi.org/10.1016/j.bmcl.2014.03.033
Zheng, Zhong, Joshua B. Parsons, Rajendra Tangallapally, Weixing Zhang, Charles O. Rock, and Richard E. Lee. “Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening.” Bioorg Med Chem Lett 24, no. 11 (June 1, 2014): 2585–88. https://doi.org/10.1016/j.bmcl.2014.03.033.
Zheng Z, Parsons JB, Tangallapally R, Zhang W, Rock CO, Lee RE. Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening. Bioorg Med Chem Lett. 2014 Jun 1;24(11):2585–8.
Zheng, Zhong, et al. “Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening.” Bioorg Med Chem Lett, vol. 24, no. 11, June 2014, pp. 2585–88. Pubmed, doi:10.1016/j.bmcl.2014.03.033.
Zheng Z, Parsons JB, Tangallapally R, Zhang W, Rock CO, Lee RE. Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening. Bioorg Med Chem Lett. 2014 Jun 1;24(11):2585–2588.

Published In
Bioorg Med Chem Lett
DOI
EISSN
1464-3405
Publication Date
June 1, 2014
Volume
24
Issue
11
Start / End Page
2585 / 2588
Location
England
Related Subject Headings
- Structure-Activity Relationship
- Molecular Structure
- Models, Molecular
- Microbial Sensitivity Tests
- Medicinal & Biomolecular Chemistry
- Fatty Acid Synthase, Type II
- Escherichia coli Proteins
- Escherichia coli
- Enzyme Inhibitors
- Drug Evaluation, Preclinical