| Title | Date | Views | Brief Description |
|---|
| Construction of a µ-opioid receptor model: identification of the opioid alkaloid binding pocket |
2009 |
2970 |
Morphine and other analgesics bind to and activate the µ-opioid receptor (MOR). The opioid receptors belong to the Class A subfamily of G-Protein Coupled Receptors (GPCRs). These are transmembrane proteins with seven helices arranged to form a closed... |
| In silico refinement of a computer model of GPR55, a cannabinoid receptor |
2011 |
1566 |
Cannabinoid receptors have great therapeutic potential and are important targets in drug discovery. As part of a broader project whose long-term goal is the determination of the basis for the actions of cannabinoids at the molecular level, this resea... |
| The study of allosteric modulator sites at the cannabinoid CB1 receptor |
2009 |
2602 |
Org 27569, Org 27759 and Org 29647 are the first discovered allosteric modulators of the cannabinoid CB1 receptor. These ligands are thought to bind to "accessory binding sites" at the receptor . Binding of the Org allosteric modulators has been show... |
| Refinement of the conformation of selected transmembrane helices in the cannabinoid receptor GPR55 using conformational memories (CM). |
2011 |
2095 |
GPR55 is a newly de-orphanized cannabinoid receptor which belongs to the class A G-protein coupled receptors (GPCRs) family and binds constitutes of the plant, Cannabis sativa. It has been suggested that the manipulation of GPR55 may have a therapeut... |
| Molecular mechanisms of mutant mu-opioid receptors where naloxone acts as an agonist |
2013 |
1154 |
Pain management is often one of the most difficult aspects of treatment for patients suffering from acute or chronic pain. The mu-opioid receptor (MOR) agonist, morphine, and its derivatives are highly used in pain management strategies. However, the... |
| Creation of a GPR18 homology model using conformational memories |
2013 |
1279 |
G-protein coupled receptors (GPCRs) make up the largest family of eukaryotic membrane receptors, covering a broad range of cellular responses in the body. This wide range of activity makes them important pharmacological targets. In general, all Class... |
| Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR |
2014 |
1201 |
G-protein coupled receptors (GPCRs) are transmembrane receptors found in eukaryotes that control many cellular signaling events. The cannabinoid receptors, CB1 and CB2, are both GPCRs. These are the receptors that are activated by Δ9-THC, the pr... |
| A model system for understanding cellular signaling of the cannabinoid CB2 receptor via the inhibitory Gi protein |
2014 |
1194 |
One key signaling pathway in the cellular signaling involving G protein coupled receptors (GPCR) is via heterotrimeric G proteins. The first step in GPCR/G protein signaling is the activation of a GPCR by the ligand binding and the next step is the a... |
| Building and refinement of an in silico homology model of a novel G protein-coupled receptor: GPR35 |
2011 |
3616 |
Human GPR35 (hGPR35), a recently deorphanized Class A G-protein coupled receptor, has been shown to exhibit prominent expression in immune and gastrointestinal tissues, with additional expression in pancreatic islets, skeletal muscle, lung tissue, an... |
| Allosteric modulation of the human cannabinoid-1 receptor: negative modulators, positive modulators, and biased agonists |
2014 |
1370 |
The human cannabinoid-1 (CB1) receptor is a Class A, rhodopsin-like G protein-coupled receptor (GPCR). CB1 is found primarily in the central nervous system (CNS) where it participates in the regulation of neuronal activity; cons... |
| Structural characterization and docking studies of acetylcholine binding proteins. |
2009 |
2945 |
Neuronal Nicotinic Receptors (NNRs) are ligand gated ion channels located both pre- and postsynaptically in the peripheral and central nervous systems. NNRs are important pharmaceutical targets for schizophrenia, pain, epilepsy, tobacco dependence, T... |
| Computational study of RTI - 371, a positive allosteric modulator of the cannabinoid CB1 receptor |
2011 |
3923 |
It is now recognized that many G-protein-coupled receptors (GPCRs) contain allosteric binding sites for endogenous and/or synthetic ligands, which are topographically distinct from the agonist-binding site, which is known as the orthosteric site. In ... |
| Identification of agonist and antagonist binding sites at the G-Protein Coupled Receptor, GPR18 |
2015 |
840 |
GPR18, a member of the Class A G-Protein Coupled Receptors (GPCRs), is recently a de-orphanized receptor, that upon activation has been found to boost the immune system. Although a GPR18 crystal structure has not been solved, a homology model of the ... |
| Construction and validation of GPR55 active and inactive state in silico models through the use of biological assays, mutation data, and structure activity relationships |
2016 |
2035 |
G-protein coupled receptors (GPCRs) function as both gatekeepers and molecular messengers of the cell. They relay signals that span the cell membrane mediating nearly every significant physiological process and currently represent the target of about... |
| Construction of a homology model of the orexin-1 receptor in its active and inactive states and subsequent molecular dynamics experiments in a simulated lipid bilayer |
2016 |
893 |
The purpose of Phase I of this research was to construct two homology models, one each inactive (R state) and active (R* state), of the orexin-1 receptor (ox1r). The ox1r is a Class A (rhodopsin-like) G protein-coupled receptor (GPCR) that couples to... |
| GPR6 receptor: model construction, docking studies, drug design, and development of novel GPR6 modulators |
2020 |
212 |
G protein coupled receptor 6 (GPR6) is a cannabinoid-related Class A GPCR orphan receptor, with high abundance in the central nervous system and high constitutive activation of adenylyl cyclase. A variety of research groups reported that GPR6 represe... |
| Construction of GPR18 in silico model: the proposed agonist and antagonist, the mechanism of activation by itself |
2019 |
136 |
GPR18 is an orphan G protein-coupled receptor (GPCR) that has been proposed to be the abnormal cannabidiol (Abn-CBD) receptor, a previously characterized atypical cannabinoid receptor for which the sequence was unknown. Recent studies show that GPR18... |
| In silico investigations of the ionotropic cannabinoid receptor TRPV1 |
2022 |
194 |
Whether caused by inflammation or dysfunctional nerves, chronic pain affects nearly 10% of the world’s population. Since there are few treatments that are effective while being noninvasive and non-addictive, new targets are being explored. Found in t... |
| Construction of a synaptic membrane for in silico endocannabinoid investigations |
2016 |
318 |
The mechanism of a chemical reaction cannot be assumed prior to identifying the solvent, thus to accurately model membrane-bound cannabinoid receptors, details of the lipid bilayer must be considered as well. Traditionally thought of as a permeable b... |
| Molecular level studies on the cannabinoid receptor type 1 (CB1): biased signaling and MD simulations |
2018 |
284 |
The endocannabinoid system has been historically targeted for medicinal purposes through the use of cannabis. Two cannabinoid receptors, CB1 and CB2, have been identified as the mediators of the biological effects of the main psychoactive component i... |