Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

Adrenergic receptors are G protein-coupled receptors for epinephrine and norepinephrine.
They are targets of many drugs for various conditions, including treatment of hypertension …

Extended-connectivity fingerprints (ECFPs) are a novel class of topological fingerprints for
molecular characterization. Historically, topological fingerprints were developed for …

Extracellular ligand binding to G protein–coupled receptors (GPCRs) modulates G protein
and β-arrestin signaling by changing the conformational states of the cytoplasmic region of …

G-protein-coupled receptors (GPCRs) represent a large family of signaling proteins that
includes many therapeutic targets; however, progress in identifying new small molecule …

Benzodiazepines exert their anxiolytic, anticonvulsant, muscle-relaxant and sedative-
hypnotic properties by allosterically enhancing the action of GABA at GABAA receptors via …

Aminergic G protein-coupled receptors (GPCRs) have been a major focus of pharmaceutical
research for many years. Due partly to the lack of reliable receptor structures, drug discovery …

The recent progress in crystallography of G-protein coupled receptors opens an
unprecedented venue for structure-based GPCR drug discovery. To test efficiency of the …

Molecular docking remains an important tool for structure-based screening to find new
ligands and chemical probes. As docking ambitions grow to include new scoring function …

The recent crystal structure determinations of druggable class AG protein-coupled receptors
(GPCRs) have opened up excellent opportunities in structure-based ligand discovery for this …