HARDNESS CONTROLLED ENZYMES AND ELECTRONEGATIVITY CONTROLLED ENZYMES - ROLE OF AN ABSOLUTE HARDNESS-ELECTRONEGATIVITY (ETA-CHI) ACTIVITY DIAGRAM AS A COORDINATE FOR BIOLOGICAL-ACTIVITIES
S. Kobayashi et al., HARDNESS CONTROLLED ENZYMES AND ELECTRONEGATIVITY CONTROLLED ENZYMES - ROLE OF AN ABSOLUTE HARDNESS-ELECTRONEGATIVITY (ETA-CHI) ACTIVITY DIAGRAM AS A COORDINATE FOR BIOLOGICAL-ACTIVITIES, Chemical and Pharmaceutical Bulletin, 46(7), 1998, pp. 1108-1115
We found that absolute hardness-absolute electronegativity (eta-chi) a
ctivity diagrams play an important role as a new coordinate of bioacti
vity in structure-activity relationships. In this paper, the eta-chi a
ctivity diagram, focusing on the molecular mechanism of bioactive comp
ounds is used to discuss two major problems. First, the potency of bio
activities for xenobiotics such as polychlorinated dibenzo-p-dioxins (
PCDDs) 3 and polychlorinated biphenyls (PCBs) 4, were found to be stro
ngly related to their absolute hardness (eta). Second, the antibacteri
al activity of new quinolones such as norfloxacin I and enoxacin 2, wa
s found to be strongly related to their absolute electronegativity (ch
i) These findings predict at least two chemical properties for a hardn
ess-controlled or electronegativity-controlled enzyme.