Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor

EA Fink, J Xu, H Hübner, JM Braz, P Seemann, C Avet… - Science, 2022 - science.org
Because nonopioid analgesics are much sought after, we computationally docked more
than 301 million virtual molecules against a validated pain target, the α2A-adrenergic …

Biased agonism at β-adrenergic receptors

M Ippolito, JL Benovic - Cellular signalling, 2021 - Elsevier
The β-adrenergic receptors (βARs) include three subtypes, β 1, β 2 and β 3. These receptors
are widely expressed and regulate numerous physiological processes including …

Advances in adrenergic receptors for the treatment of chronic obstructive pulmonary disease: 2023 update

MG Matera, B Rinaldi, L Calzetta… - Expert Opinion on …, 2023 - Taylor & Francis
Introduction Strong scientific evidence and large experience support the use of β2-agonists
for the symptomatic alleviation of COPD. Therefore, there is considerable effort in …

Visualization of β-adrenergic receptor dynamics and differential localization in cardiomyocytes

M Bathe-Peters, P Gmach, HH Boltz… - Proceedings of the …, 2021 - National Acad Sciences
A key question in receptor signaling is how specificity is realized, particularly when different
receptors trigger the same biochemical pathway (s). A notable case is the two β‐adrenergic …

Constrained catecholamines gain β2AR selectivity through allosteric effects on pocket dynamics

X Xu, J Shonberg, J Kaindl, MJ Clark, A Stößel… - Nature …, 2023 - nature.com
G protein-coupled receptors (GPCRs) within the same subfamily often share high homology
in their orthosteric pocket and therefore pose challenges to drug development. The amino …

Structural insights into ligand recognition, activation, and signaling of the α2A adrenergic receptor

J Xu, S Cao, H Hübner, D Weikert, G Chen, Q Lu… - Science …, 2022 - science.org
The α2A adrenergic receptor (α2AAR) is a G protein (heterotrimeric guanine nucleotide–
binding protein)–coupled receptor that mediates important physiological functions in …

Exploring the deactivation mechanism of human β 2 adrenergic receptor by accelerated molecular dynamic simulations

J Chen, J Wang, Q Zeng, W Wang, H Sun… - Frontiers in Molecular …, 2022 - frontiersin.org
The β 2 adrenergic receptor (β2AR), one of important members of the G protein coupled
receptors (GPCRs), has been suggested as an important target for cardiac and asthma …

Progress on the development of Class A GPCR‐biased ligands

P Morales, MM Scharf, M Bermudez… - British Journal of …, 2024 - Wiley Online Library
Class AG protein‐coupled receptors (GPCRs) continue to garner interest for their essential
roles in cell signalling and their importance as drug targets. Although numerous drugs in the …

Probing allosteric regulation mechanism of W7. 35 on agonist-induced activity for μOR by mutation simulation

F Zhang, X Chen, J Chen, Y Xu, S Li… - Journal of Chemical …, 2021 - ACS Publications
The residue located at 15 positions before the most conserved residue in TM7 (7.35 of
Ballesteros–Weinstein number) plays important roles in ligand binding and the receptor …

Evaluation of the Antimicrobial Potential and Toxicity of a Newly Synthesised 4-(4-(Benzylamino)butoxy)-9H-carbazole

K Zawadzka, A Felczak, IE Głowacka… - International Journal of …, 2021 - mdpi.com
One of the greatest threats to human and animal health is posed by infections caused by
drug-resistant bacterial strains. Therefore, newly synthesised substances are tested for their …