In Vitro and In Silico Characterization of Lemborexant (E2006), a Novel Dual Orexin Receptor Antagonist

• Published in: The Journal of pharmacology and experimental therapeutics Vol. 362; no. 2; pp. 287 - 295
• Main Authors: Beuckmann, Carsten Theodor, Suzuki, Michiyuki, Ueno, Takashi, Nagaoka, Kazuya, Arai, Tohru, Higashiyama, Hiroyuki
• Format: Journal Article
• Language: English
• Published: United States Elsevier Inc 01.08.2017
• Subjects: Animals; Binding Sites; CHO Cells; Computer Simulation; Cricetinae; Cricetulus; HEK293 Cells; Humans; Mice; Orexin Receptor Antagonists - chemistry; Orexin Receptor Antagonists - metabolism; Orexin Receptors - chemistry; Orexin Receptors - metabolism; Protein Structure, Secondary; Rats; OXR; CHO; kon; hOX1R; MT1R; PLAP; OX1R; PDB; RBA; HEK293; mOX2R; koff; MD; DORA; mOXB; hOXB; MT2R; E2006; OX2R; hOX2R; 2-SORA; MM-GBSA; OXB; EMPA; OXA; REM; Bmax; FDSS; Ki

Orexin (hypocretin) neuropeptides have, among others, been implicated in arousal/sleep control, and antagonizing the orexin signaling pathway has been previously demonstrated to promote sleep in animals and humans. This mechanism opens up a new therapeutic approach to curb excessive wakefulness in i...