Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors
文摘
Selective MAO-B and dual MAO-A/B inhibitors have been developed. N-methylated indazole-5-carboxamides show high GI and BBB in vitro permeability, 13a and 13b can be highlighted. Visual SAR guidance with new modeling techniques successfully applied. Comprehensive binding mode and pharmacophore feature analyses conducted.