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Inhibitors of Bacillus anthracis acetohydroxyacid synthase

Paper ID Volume ID Publish Year Pages File Format Full-Text
17951 42707 2008 6 PDF Available
Title
Inhibitors of Bacillus anthracis acetohydroxyacid synthase
Abstract

Twelve compounds (100 μM) had a predicted log P between −0.5 and −3.0 and inhibited AHAS activity by >40%. CE, IQ, and SMM showed dose-dependent inhibition of Bacillus anthracis AHAS (BAntx AHAS) with IC50 values of 7.01 ± 0.81, 6.97 ± 0.44, and 10.02 ± 1.42 μM, respectively. CE and IQ were noncompetitive and uncompetitive inhibitors of BAntx AHAS with Kii values of 3.77 and 2.02, respectively. The order of potency towards BAntx AHAS was CE > PSE > MSM > TSM > SMM for sulfonylureas and IQ > Imazapic > IP for imidazolinones. The most active compound, CE, showed the lowest total interaction energy and highest MolDock score of −140.054 kcal/mol and −141.52, respectively. Three hydrogen bonds were identified between BAntx AHAS and CE. AHAS appears to be a promising potential target for new anti-anthracis drugs.

Keywords
BCAAs, branched-chain amino acids; BAntx AHAS, Bacillus anthracis AHAS; CE, chlorimuronethyl; IP, imazapyr; IQ, imazaquin; MSM, metsulfuronmethyl; NS, nicosulfuron; PSE, pyrazosulfuronethyl; PSM, primisulfuronmethyl; SMM, sulfometuronmethyl; TS, triasulfu
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Publisher
Database: Elsevier - ScienceDirect
Journal: Enzyme and Microbial Technology - Volume 43, Issue 3, 5 September 2008, Pages 270–275
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
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Any Questions? feel free to contact us