Industrial and academic approaches to the search for alternative melatonin receptor ligands: An historical survey

A Bedini, JA Boutin, C Legros… - Journal of Pineal …, 2024 - Wiley Online Library
The search for melatonin receptor agonists formed the main part of melatonin medicinal
chemistry programs for the last three decades. In this short review, we summarize the two …

G protein-coupled receptors as targets for transformative neuropsychiatric therapeutics

GP Schmitz, BL Roth - American Journal of Physiology-Cell …, 2023 - journals.physiology.org
G protein-coupled receptors (GPCRs) constitute the largest family of druggable genes in the
human genome. Even though perhaps 30% of approved medications target GPCRs, they …

Molecular glues as potential GPCR therapeutics

BL Roth, BE Krumm - Biochemical Pharmacology, 2024 - Elsevier
Abstract “Molecular Glues” are defined as small molecules that can either be endogenous or
synthetic which promote interactions between proteins at their interface. Allosteric …

Trends in application of advancing computational approaches in GPCR ligand discovery

S Zhu, M Wu, Z Huang, J An - Experimental Biology and …, 2021 - journals.sagepub.com
G protein-coupled receptors (GPCRs) comprise the most important superfamily of protein
targets in current ligand discovery and drug development. GPCRs are integral membrane …

[HTML][HTML] Development of the determination of melatonin in blueberries using LC-MS/MS

A Muñoz-Jurado, D López, BM Escribano - Food Bioscience, 2024 - Elsevier
Melatonin (MLT) is an indolamine that presents a functional activity with a broad spectrum of
action, highlighting its antioxidant, anti-inflammatory and immunomodulatory and anti …

State of the art iterative docking with logistic regression and Morgan fingerprints

L Martin - 2021 - chemrxiv.org
There is renewed interest in docking campaigns for ligand-discovery since the advent of
ultra-large scale virtual libraries. Using brute-force search, the scale of the libraries suggests …

Crystal structures of the σ2 receptor template large-library docking for selective chemotypes active in vivo

A Alon, J Lyu, JM Braz, TA Tummino, V Craik… - bioRxiv, 2021 - biorxiv.org
The σ2 receptor is a poorly understood transmembrane receptor that has attracted intense
interest in many areas of biology including cancer imaging, Alzheimer's disease …

[HTML][HTML] Advances in GPCRs: Structure, Mechanisms, Disease, and Pharmacology: G protein-coupled receptors as targets for transformative neuropsychiatric …

GP Schmitz, BL Roth - American Journal of Physiology-Cell …, 2023 - ncbi.nlm.nih.gov
G protein-coupled receptors (GPCRs) constitute the largest family of druggable genes in the
human genome. Even though perhaps 30% of approved medications target GPCRs, they …

VLA-SMILES: Variable-Length-Array SMILES Descriptors in Neural Network-Based QSAR Modeling

AL Nazarova, A Nakano - Machine Learning and Knowledge Extraction, 2022 - mdpi.com
Machine learning represents a milestone in data-driven research, including material
informatics, robotics, and computer-aided drug discovery. With the continuously growing …

Alternative ligands at melatonin receptors

C Legros, S Yous, JA Boutin - Melatonin: Methods and Protocols, 2022 - Springer
Abstract Melatonin (N-acetyl-5-methoxytryptamine) is a neurohormone that possesses a
wide range of biological effects. Most of the main recognized effects of this hormone in …