Structure–activity relationship in a series of natural and synthetic inhibitors of 5-lipoxygenase catalytic activity

Structural features characteristic of high-, medium-, and low-efficiency inhibitors of 5-lipoxygenase (5-LOG) catalytic activity were established. The degree of their influence on the inhibition efficiency was assessed. Two models (M1 and M2) were constructed for the prediction and recognition of the efficiency intervals of 5-LOG inhibitors. The confidence level of activity prediction for M1 and M2 reached 90 and 70%, respectively. The revealed structural features could be used for constructing highly selective inhibitors of 5-LOG catalytic activity.