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Abstract
3-ethylcyclopentanone derivatives were synthesized for examination of antibacterial activity, and it was evaluated by molecular orbital calculation.This parameter at minimum inhibitory concentration (MIC) was found closely correlated with absolute electronegativity (χ) derived from the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). The values of ΔN and ΔE calculated from χ and absolute hardness (η) of 3-methylcyclopentanones and amino acids also showed good correlation with MIC. In relation to methylenomycins, cyclopentanone antibiotics, antibacterial activity was investigated by comparing the χ, ΔN and ΔE.2, 3-Epoxy-3-methyl-5-methylenecyclopentanone 4 whose antibacterial activity was the strongest, may possibly have potential as a cyclopentanone antibiotic based on χ, ΔN and ΔE data.
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