[HTML][HTML] Machine learning models to predict ligand binding affinity for the orexin 1 receptor
VY Zhang, SL O'Connor, WJ Welsh… - Artificial intelligence …, 2024 - Elsevier
The orexin 1 receptor (OX1R) is a G-protein coupled receptor that regulates a variety of
physiological processes through interactions with the neuropeptides orexin A and B …
physiological processes through interactions with the neuropeptides orexin A and B …
GRU-based de novo molecular generation and combinatorial virtual screening of OX1R antagonists
X Liang, H Mei, M Qiu, S Deng, Y Li, Y Ke… - Chemometrics and …, 2022 - Elsevier
Abstract Orexin-1 receptor (OX1R) has been proved to play an important role in the
regulation of emotions, addiction, panic, or anxiety, and thus been a promising drug target …
regulation of emotions, addiction, panic, or anxiety, and thus been a promising drug target …
Identification of Highly Selective Orexin 1 Receptor Antagonists Driven by Structure-Based Design
U Lessel, M Ferrara, N Heine, C Marelli… - Journal of Chemical …, 2021 - ACS Publications
OX1 receptor antagonists are of interest to treat, for example, substance abuse disorders,
personality disorders, eating disorders, or anxiety-related disorders. However, known dual …
personality disorders, eating disorders, or anxiety-related disorders. However, known dual …
Toward an understanding of agonist binding to human Orexin-1 and Orexin-2 receptors with G-protein-coupled receptor modeling and site-directed mutagenesis
A Heifetz, O Barker, GB Morris, RJ Law, M Slack… - Biochemistry, 2013 - ACS Publications
The class A G-protein-coupled receptors (GPCRs) Orexin-1 (OX1) and Orexin-2 (OX2) are
located predominantly in the brain and are linked to a range of different physiological …
located predominantly in the brain and are linked to a range of different physiological …
Study of human Orexin-1 and-2 G-protein-coupled receptors with novel and published antagonists by modeling, molecular dynamics simulations, and site-directed …
The class A G-protein-coupled receptors (GPCRs) Orexin-1 (OX1) and Orexin-2 (OX2) are
located predominantly in the brain and are linked to a range of different physiological …
located predominantly in the brain and are linked to a range of different physiological …
Structure-based development of a subtype-selective orexin 1 receptor antagonist
J Hellmann, M Drabek, J Yin… - Proceedings of the …, 2020 - National Acad Sciences
Orexins are neuropeptides that activate the rhodopsin-like G protein-coupled receptors
OX1R and OX2R. The orexin system plays an important role in the regulation of the sleep …
OX1R and OX2R. The orexin system plays an important role in the regulation of the sleep …
[HTML][HTML] Investigation of New Orexin 2 Receptor Modulators Using In Silico and In Vitro Methods
J Janockova, R Dolezal, E Nepovimova, T Kobrlova… - Molecules, 2018 - mdpi.com
The neuropeptides, orexin A and orexin B (also known as hypocretins), are produced in
hypothalamic neurons and belong to ligands for orphan G protein-coupled receptors …
hypothalamic neurons and belong to ligands for orphan G protein-coupled receptors …
Molecular modeling technology studies of novel pyrazoylethylbenzamide derivatives as selective orexin receptor 1 antagonists
Q Li, C Zhang, Y Ren - Journal of the Taiwan Institute of Chemical …, 2019 - Elsevier
Orexin neuropeptide signal is the core promoter of arousal, and orexin signaling is activated
by orexin receptor 1 (OX 1 R), which makes OX 1 R an attractive target for the treatment of …
by orexin receptor 1 (OX 1 R), which makes OX 1 R an attractive target for the treatment of …
Comparison of orexin 1 and orexin 2 ligand binding modes using X-ray crystallography and computational analysis
M Rappas, AAE Ali, KA Bennett, JD Brown… - Journal of medicinal …, 2019 - ACS Publications
The orexin system, which consists of the two G protein-coupled receptors OX1 and OX2,
activated by the neuropeptides OX-A and OX-B, is firmly established as a key regulator of …
activated by the neuropeptides OX-A and OX-B, is firmly established as a key regulator of …
Pharmacophore Model To Discover OX1 and OX2 Orexin Receptor Ligands
Small molecule agonists and antagonists of the orexinergic system have key implications for
research and therapeutic purposes. We report a pharmacophore model trained on∼ 200 …
research and therapeutic purposes. We report a pharmacophore model trained on∼ 200 …