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INSILICO DRUG ACTIVITY OF N-OXIDES

Keywords: N-Oxides , log P , Hex 4.2 , ChemSketch

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Abstract:

N-Oxides were found to have antimicrobial activity. In continuation of our work on synthesis, characterizationand biological activities (in vitro method) of N-Oxides and knowing their biological activities against micro organisms, wehave correlated the biological activity of these N-Oxides against the micro organisms like Staphylococcus aureus,Salmonella typhi “H”, Escherichia Coli, Pseudomonas aeruginosa, Klebsiella aerogenes, Enterobacteraerogenes,Citrobacter, Staphylococcus epidermidis, and Aeromonas hydrophila by Insilico method. The target molecules(microorganism) were taken from Protein data bank. Various soft wares were used to find out the drug likeness propertiesof these N-Oxides. Online software “Molinspiration” was used to calculate log P (ie) Hydrophobicity of a drug. ACD/Chemsketch was used to draw the structures of N-Oxides. Hex 4.2, docking software was used to predict the drugactivities of these N-Oxides. The drug activities were measured in terms of drug likeness property by recording the ETotalvalue and compared with the marketed standard drugs for the above micro organism infections. Standard drugswere taken from drug bank. As per the standard norms, it was observed that the compounds that have negative E-Totalvalues could be used as a drug. We have selected Ceftazidime ,Cefepime and Ceftizoxime as standard drugs among theavailable drugs for these microorganism for correlating the drug activities of these N-Oxides. We observed that some ofour N-Oxides were found to have higher drug activities compared to standard drugs.

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