Allosteric modulation of class A GPCRs: targets, agents, and emerging concepts

EA Wold, J Chen, KA Cunningham… - Journal of medicinal …, 2018 - ACS Publications
G-protein-coupled receptors (GPCRs) have been tractable drug targets for decades with
over one-third of currently marketed drugs targeting GPCRs. Of these, the class A GPCR …

Allosteric regulation of G-protein-coupled receptors: from diversity of molecular mechanisms to multiple allosteric sites and their ligands

AO Shpakov - International Journal of Molecular Sciences, 2023 - mdpi.com
Allosteric regulation is critical for the functioning of G protein-coupled receptors (GPCRs)
and their signaling pathways. Endogenous allosteric regulators of GPCRs are simple ions …

Dysregulation of chemokine/chemokine receptor axes and NK cell tissue localization during diseases

G Bernardini, F Antonangeli, V Bonanni… - Frontiers in …, 2016 - frontiersin.org
Chemokines are small chemotactic molecules that play key roles in physiological and
pathological conditions. Upon signaling via their specific receptors, chemokines regulate …

Recent advances in structure-based drug design targeting class AG protein-coupled receptors utilizing crystal structures and computational simulations

Y Lee, S Basith, S Choi - Journal of Medicinal Chemistry, 2018 - ACS Publications
G protein-coupled receptors (GPCRs) represent the largest and most physiologically
important integral membrane protein family, and these receptors respond to a wide variety of …

Exploring Druggable Binding Sites on the Class A GPCRs Using the Residue Interaction Network and Site Identification by Ligand Competitive Saturation

T Inan, M Yuce, AD MacKerell Jr, O Kurkcuoglu - ACS omega, 2024 - ACS Publications
G protein-coupled receptors (GPCRs) play a central role in cellular signaling and are linked
to many diseases. Accordingly, computational methods to explore potential allosteric sites …

Targeting chemokine receptors from the inside-out: discovery and development of small-molecule intracellular antagonists

M Billen, D Schols, P Verwilst - Chemical Communications, 2022 - pubs.rsc.org
Ever since the first biologically active chemokines were discovered in the late 1980s, these
messenger proteins and their receptors have been the target for a plethora of drug discovery …

[HTML][HTML] Triazolothiadiazine derivative positively modulates CXCR4 signaling and improves diabetic wound healing

S Peddibhotla, K Caples, A Mehta, QY Chen… - Biochemical …, 2023 - Elsevier
Abstract Development of specific therapies that target and accelerate diabetic wound repair
is an urgent need to alleviate pain and suffering and the huge socioeconomic burden of this …

Directed evolution of broadly crossreactive chemokine-blocking antibodies efficacious in arthritis

A Angelini, Y Miyabe, D Newsted, BH Kwan… - Nature …, 2018 - nature.com
Chemokine receptors typically have multiple ligands. Consequently, treatment with a
blocking antibody against a single chemokine is expected to be insufficient for efficacy. Here …

Binding analysis using accelerated molecular dynamics simulations and future perspectives

S Pawnikar, A Bhattarai, J Wang… - … and Applications in …, 2022 - Taylor & Francis
Biomolecular recognition such as binding of small molecules, nucleic acids, peptides and
proteins to their target receptors plays key roles in cellular function and has been targeted …

Neutrophil priming that turns natural FFA2R agonists into potent activators of the superoxide generating NADPH-oxidase

J Mårtensson, A Holdfeldt, M Sundqvist… - Journal of Leukocyte …, 2018 - academic.oup.com
Acetate, an agonist for the free fatty acid receptor 2 (FFA2R/GPR43), triggers an increase in
the cytosolic concentration of free Ca2+ in neutrophils without any assembly of the …