Electronic Aspect of the Antibacterial Activity of Nitrofuran Derivatives

摘要: In order to interpret the antibacterial activity of nitrofuran derivatives (N. F.) in connection with their electronic properties, an approximate superdelocalizability, Sr(N)′, frontier electron density, fr(N), and energy lowest vacant level, klv, were calculated. The simple Huckel MO method was adopted this calculation. for typical compounds N. F. correlated closely values klv. On contrary, no significant correlation found between reactivity index, activity. These suggest that bactericidal action can be interpreted terms not F., but transfer from a biomolecule such as NADH molecule. other hand, molecular complex found. This enables one conclude that, by use affinity, molecules inhibit coupled respiratory chain body bacteria.