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a Kishida, K. (1978) Chemical and Pharmaceutical Bulletin 26, 1049-1053.

a Kishida, K. (1978) Chemical and Pharmaceutical Bulletin 26, 1049-1053.

where QN is the charge on the 5-nitrogen atom, suggesting that the atoms in the 5-position interact hydrophobically and electrostatically with the enzyme. Nine compounds, however, are rather few for a QSAR.

DeBenedetti's group (DeBenedetti et al. 1987; Menziani and DeBenedetti 1991a) used the same approach as that for the benzenoids. They (Menziani et al. 1989a) calculated with AM1 quantum chemical indices for the twelve 2-substituted 1,3,4-thiadiazole-5-sulfonamides given in Table 5.11. They calculated by molecular mechanics binding energies to bovine CA B and correlated CA inhibitory potency with binding energy as well as binding energy with quantum indices:

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