A practical guide to large-scale docking
Abstract Structure-based docking screens of large compound libraries have become
common in early drug and probe discovery. As computer efficiency has improved and …
common in early drug and probe discovery. As computer efficiency has improved and …
Bespoke library docking for 5-HT2A receptor agonists with antidepressant activity
There is considerable interest in screening ultralarge chemical libraries for ligand discovery,
both empirically and computationally,,–. Efforts have focused on readily synthesizable …
both empirically and computationally,,–. Efforts have focused on readily synthesizable …
Structure, function and pharmacology of human itch GPCRs
The MRGPRX family of receptors (MRGPRX1–4) is a family of mas-related G-protein-
coupled receptors that have evolved relatively recently. Of these, MRGPRX2 and MRGPRX4 …
coupled receptors that have evolved relatively recently. Of these, MRGPRX2 and MRGPRX4 …
Virtual discovery of melatonin receptor ligands to modulate circadian rhythms
RM Stein, HJ Kang, JD McCorvy, GC Glatfelter… - Nature, 2020 - nature.com
The neuromodulator melatonin synchronizes circadian rhythms and related physiological
functions through the actions of two G-protein-coupled receptors: MT1 and MT2. Circadian …
functions through the actions of two G-protein-coupled receptors: MT1 and MT2. Circadian …
How ligands illuminate GPCR molecular pharmacology
G protein-coupled receptors (GPCRs), which are modulated by a variety of endogenous and
synthetic ligands, represent the largest family of druggable targets in the human genome …
synthetic ligands, represent the largest family of druggable targets in the human genome …
Structure, function and pharmacology of human itch receptor complexes
F Yang, L Guo, Y Li, G Wang, J Wang, C Zhang… - Nature, 2021 - nature.com
In the clades of animals that diverged from the bony fish, a group of Mas-related G-protein-
coupled receptors (MRGPRs) evolved that have an active role in itch and allergic signals …
coupled receptors (MRGPRs) evolved that have an active role in itch and allergic signals …
House dust mites activate nociceptor–mast cell clusters to drive type 2 skin inflammation
N Serhan, L Basso, R Sibilano, C Petitfils… - Nature …, 2019 - nature.com
Allergic skin diseases, such as atopic dermatitis, are clinically characterized by severe
itching and type 2 immunity-associated hypersensitivity to widely distributed allergens …
itching and type 2 immunity-associated hypersensitivity to widely distributed allergens …
Unexplored therapeutic opportunities in the human genome
A large proportion of biomedical research and the development of therapeutics is focused
on a small fraction of the human genome. In a strategic effort to map the knowledge gaps …
on a small fraction of the human genome. In a strategic effort to map the knowledge gaps …
Physiology and pathophysiology of itch
F Cevikbas, EA Lerner - Physiological reviews, 2020 - journals.physiology.org
Itch is a topic to which everyone can relate. The physiological roles of itch are increasingly
understood and appreciated. The pathophysiological consequences of itch impact quality of …
understood and appreciated. The pathophysiological consequences of itch impact quality of …
Multifaceted MRGPRX2: New insight into the role of mast cells in health and disease
Cutaneous mast cells (MCs) express Mas-related G protein–coupled receptor-X2
(MRGPRX2; mouse ortholog MrgprB2), which is activated by an ever-increasing number of …
(MRGPRX2; mouse ortholog MrgprB2), which is activated by an ever-increasing number of …