In silico drug discovery of melatonin receptor ligands with therapeutic potential

GM Elisi, L Scalvini, A Lodola, A Bedini… - Expert Opinion on …, 2022 - Taylor & Francis
Introduction The neurohormone melatonin (N-acetyl-5-methoxytryptamine) regulates
circadian rhythms exerting a variety of effects in the central nervous system and in periphery …

[PDF][PDF] MT2 Selective melatonin receptor antagonists: design and structure-activity relationships

S Rivara, M Mor, S Lorenzi, A Lodola, PV Plazzi… - Arkivoc, 2006 - arkat-usa.org
The neurohormone melatonin is involved in the regulation of many physiological functions,
in particular those related to circadian and seasonal rhythms. In mammals, melatonin …

Recent advances in the development of melatonin MT1 and MT2 receptor agonists

M Mor, S Rivara, D Pala, A Bedini… - Expert opinion on …, 2010 - Taylor & Francis
Importance of the field: Increasing clinical evidences suggest that melatonin receptor
agonists can represent a novel therapeutic approach for the treatment of sleep disturbances …

Structure-Based Virtual Screening of MT2 Melatonin Receptor: Influence of Template Choice and Structural Refinement

D Pala, T Beuming, W Sherman, A Lodola… - Journal of chemical …, 2013 - ACS Publications
Developing GPCR homology models for structure-based virtual screening requires the
choice of a suitable template and refinement of binding site residues. We explored this …

Structure-based discovery of potent and selective melatonin receptor agonists

N Patel, XP Huang, JM Grandner, LC Johansson… - Elife, 2020 - elifesciences.org
Melatonin receptors MT1 and MT2 are involved in synchronizing circadian rhythms and are
important targets for treating sleep and mood disorders, type-2 diabetes and cancer. Here …

Docking studies for melatonin receptors

HA Alkozi, JM Sanchez Montero… - Expert opinion on drug …, 2018 - Taylor & Francis
Introduction: Melatonin is a neurohormone that controls many relevant physiological
processes beyond the control of circadian rhythms. Melatonin's actions are carried out by …

Highly Potent and Selective MT2 Melatonin Receptor Full Agonists from Conformational Analysis of 1-Benzyl-2-acylaminomethyl-tetrahydroquinolines

G Spadoni, A Bedini, S Lucarini, M Mari… - Journal of Medicinal …, 2015 - ACS Publications
Molecular superposition models guided the design of novel melatonin receptor ligands
characterized by a 2-acylaminomethyltetrahydroquinoline scaffold. Starting from the …

Analysis of Structure−Activity Relationships for MT2 Selective Antagonists by Melatonin MT1 and MT2 Receptor Models

S Rivara, S Lorenzi, M Mor, PV Plazzi… - Journal of medicinal …, 2005 - ACS Publications
Three-dimensional homology models of human MT1 and MT2 melatonin receptors were
built with the aim to investigate the structure− activity relationships (SARs) of MT2 selective …

[HTML][HTML] A molecular and chemical perspective in defining melatonin receptor subtype selectivity

KH Chan, YH Wong - International Journal of Molecular Sciences, 2013 - mdpi.com
Melatonin is primarily synthesized and secreted by the pineal gland during darkness in a
normal diurnal cycle. In addition to its intrinsic antioxidant property, the neurohormone has …

[HTML][HTML] Molecular basis of ligand selectivity for melatonin receptors

W Cui, J Dong, S Wang, H Vogel, R Zou, S Yuan - RSC advances, 2023 - pubs.rsc.org
Sleep disorders in adults are related to adverse health effects such as reduced quality of life
and increased mortality. About 30–40% of adults are suffering from different sleep disorders …