404
P. M. Vassiliev et al.
12.4.1 Antioxidant Activity
The training set was constructed according to the results of experimental studies
of 325 condensed azole derivatives of four classes (Fig. 12.2): 232 imidazo[1,2a]benzimidazoles (IV), 34 benzimidazoles (II), 33 pyrimido[1,2-a]benzimidazoles
(VIII) and 26 pyrrolo[1,2-a]benzimidazoles (V) [46–48, 105, 122, 124].
Table 12.11  Indices of prediction accuracy for the best strategy of chiral compound activity
Activity level
Better strategy
a
F 0 , %
F a , %
F n , %
D 2 agonists
High
Normal
89
83
90
High or moderate
Normal
73
73
73
β-Adrenoblockers
High adrenoblocking
Normal
100
100
100
High C max
b
Normal
100
100
100
High AUC
c
Normal
100
100
100
High Cl R
d
Normal
100
100
100
High t 1/2
e
Normal
100
100
100
Nebivolol
High β 1 -adrenoblocking
Normal
100
100
100
a
In LOOCV
b
Maximum blood plasma concentration
c
Area under plasma concentration-time curve
d
Renal clearance
e
Half-life
Fig. 12.2  Condensed azole derivatives tested for antioxidant, antiarrhythmic and antiplatelet
activity (the interrupted line indicates a possible double bond)