Virtual discovery of melatonin receptor ligands to modulate circadian rhythms

The neuromodulator melatonin synchronizes circadian rhythms and related physiological functions through the actions of two G-protein-coupled receptors: MT 1 and MT 2 . Circadian release of melatonin at night from the pineal gland activates melatonin receptors in the suprachiasmatic nucleus of the hy...

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Veröffentlicht in:	Nature (London) 2020-03, Vol.579 (7800), p.609-614
Hauptverfasser:	Stein, Reed M., Kang, Hye Jin, McCorvy, John D., Glatfelter, Grant C., Jones, Anthony J., Che, Tao, Slocum, Samuel, Huang, Xi-Ping, Savych, Olena, Moroz, Yurii S., Stauch, Benjamin, Johansson, Linda C., Cherezov, Vadim, Kenakin, Terry, Irwin, John J., Shoichet, Brian K., Roth, Bryan L., Dubocovich, Margarita L.
Format:	Artikel
Sprache:	eng
Schlagworte:	631/154/436/2387 631/92/2132 631/92/606 64 64/60 Animals Biological clocks Biological control systems Biology Chemical compounds Chemical synthesis Circadian rhythm Circadian Rhythm - drug effects Circadian Rhythm - physiology Circadian rhythms Crystal structure Darkness Discovery and exploration Drug development Drug Evaluation, Preclinical Drug Inverse Agonism Female G protein-coupled receptors Hormone receptors Humanities and Social Sciences Humans Hydrogen bonds Hypothalamus Inverse agonists Libraries Ligands Ligands (Biochemistry) Light Male Melatonin Melatonin receptors Mice Mice, Knockout Molecular Docking Simulation Molecular structure multidisciplinary Neuromodulation Optimization Pharmacology, Experimental Physiological aspects Physiology Pineal gland Receptor, Melatonin, MT1 - agonists Receptor, Melatonin, MT1 - deficiency Receptor, Melatonin, MT1 - genetics Receptor, Melatonin, MT1 - metabolism Receptor, Melatonin, MT2 - agonists Receptor, Melatonin, MT2 - deficiency Receptor, Melatonin, MT2 - genetics Receptor, Melatonin, MT2 - metabolism Receptors Receptors, Melatonin - agonists Receptors, Melatonin - deficiency Receptors, Melatonin - genetics Receptors, Melatonin - metabolism Reentrainment Science Science (multidisciplinary) Small Molecule Libraries - pharmacology Structure Substrate Specificity - genetics Suprachiasmatic nucleus Synchronism Therapeutic targets
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