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Molecular docking studies The molecular docking studies were carried out using induced-fit docking (IFD) protocols implemented in the Schrdinger Small-Molecule Drug Discovery Suite (Schrdinger, LLC, New York, NY, United States) (Zou et al., 2014)

Circadian sleep wake-rhythm disorders evaluation The origin of a circadian rhythm disorder can be related either to an intrinsic abnormality in the circadian system itself (misalignment of the intrinsic circadian timing with the desired sleep schedule) or to external factors, as when individuals must be awake at times that are not synchronized with their intrinsic rhythms

Moreover, long-term clinical translation requires consideration of pharmacokinetics, pharmacodynamics, and combination indices to establish optimal drug ratios and dosing schedules

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