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Inducing a Site Specific Replication Blockage in E. coli Using a Fluorescent Repressor Operator System
Published on: August 21, 2016
Antimicrobial flavonoid: in silico targeting Escherichia coli DNA gyrase adeptly
Harshal Shivaji Patil1,2, Jaysing M Dinore3, Ali Alrabie4
1Department of Chemistry, Moreshwar Art's, Science and Commerce College, Bhokarda, India.
Abstract:
A phytochemical investigation of Leucas aspera involved the isolation of flavones and steroids, along with triterpenoids. The identified chemical constituents were characterized as baicalein, baicalein-7-O-β-D-glucuronide, lup-20(29)-ene-3α,23-diol, β-sitosterol, and stigmasterol. Notably, baicalein (4) and baicalein-7-O-β-D-glucuronide (5) demonstrated significant antimicrobial activity at a low minimum inhibitory concentration against Staphylococcus aureus, Pseudomonas fluorescens, and Escherichia coli. Meanwhile, lup-20(29)-ene-3α,23-diol, β-sitosterol, and stigmasterol displayed moderate antimicrobial activity against all the screened microorganisms. Further analysis showed that baicalein-7-O-β-D-glucuronide had a strong docking score of -5.78 kcal/mol, indicating its robust interaction with E. coli DNA gyrase, which aligns with the in vitro findings. Additionally, baicalein-7-O-β-D-glucuronide exhibited in silico ADME (absorption, distribution, metabolites, and excretion) properties similar to those of tetracycline.
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