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Computer-aided Drug Discovery: Novel 3,9-disubstituted Eudistomin U Derivatives as Potent Antibacterial Agents

Jiangkun Dai, Wenjia Dan, Na Li, Junru Wang

Eur J Med Chem. 2018 Sep 5;157:333-338.

PMID: 30099255

Abstract:

Thirty-two new 3,9-disubstituted eudistomin U derivatives were designed and synthesized based on computer-aided drug discovery (CADD). Sixteen 3,9-disubstituted eudistomin U derivatives (6a-6p) have exhibited potent antibacterial activity. Specially, the most active compound 6p displayed better activity than commercial drugs fosfomycin sodium, ciprofloxacin and propineb, with a peak minimum inhibitory concentration (MIC) of 1.5625 μmol/L. The antibacterial mechanism indicated that these compounds could exert bactericidal effect by damaging bacterial cell membrane and disrupting the function of DNA gyrase.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
AP26016999 Fosfomycin sodium Fosfomycin sodium 26016-99-9 Price
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