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A more rigorous conformational sampling scheme was used for both actives and decoys, with an RMSD cutoff of 1.1 Å, an energy cutoff of 50 kcal/mol, and a maximum of 10,000 sampled conformers while keeping the input conformer.
For both actives, the percentage reduction in itching from baseline was superior over placebo at 3, 5, and 7 min (−23.7%, −24.1%, and −30.2%, respectively).
As a specific chemotype contains both actives and inactives, the scaffold‐wise accumulation leads to a more stepwise increase of the ROC curve.
Alcaftadine demonstrated a significantly lower mean itch score over all time points compared with olopatadine (0.68 vs. 0.92, respectively; P = 0.0390); both alcaftadine- and olopatadine-treated subjects achieved significantly lower overall mean ocular itching scores compared with placebo (2.10; P < 0.0001 for both actives).
For subjects who met the criteria for minimal itch or zero itch at all three time points (3, 5, and 7 min), significantly higher proportions of subjects achieved overall minimal itch and zero itch in the alcaftadine 0.25% and olopatadine 0.2% groups compared with the placebo group (minimal itch, P < 0.0001; zero itch, P ≤ 0.0006, for both actives versus placebo; Fig. 4).
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