Virtual screening and drug repurposing experiments to identify ...

of MAO-A/B inhibitors were extracted with the help of InstantJChem (Table 1), resulting in 20 unique BMF for selective and 97 for nonselective MAO-B inhibitors (Figs. 2, 3). Since the number of unique BMF is low, we extended the number of ligands per framework such as the highest BMF/ compound ratio is of 2 (Table 1) [18]. The binary selectivity ................
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