A systematic computational workflow integrates Protein–Ligand Affinity prediction NETwork (PLANET), a GPU‐accelerated version of AutoDock Vina (Vina‐GPU), molecular mechanics/generalized born surface area (MM/GBSA), absorption distribution metabolism excretion toxicity prediction (admetSAR 3.0), molecular dynamics (MD), and absolute binding free energy
Xi Chen +5 more
wiley +1 more source
Manifold active‐state conformations in GPCRs: Agonist‐activated constitutively active mutant AT1 receptor preferentially couples to Gq compared to the wild‐type AT1 receptor [PDF]
ChangWoo Lee +5 more
openalex +1 more source
ABSTRACT Mass spectrometry (MS) offers robust, label‐free approaches for characterizing ligand–protein interactions through two main strategies: affinity‐based and stability‐based assays. However, their application to membrane proteins (MPs)—a major class of drug targets—has been limited by challenges such as structural complexity, low native ...
Jonathon C. Lambos +3 more
wiley +1 more source
Rare pathogenic variants in G-protein-coupled receptor genes involved in gut-to-host communication are associated with cardiovascular disease risk. [PDF]
Camargo Tavares L +3 more
europepmc +1 more source
DEP-Domain-Mediated Regulation of GPCR Signaling Responses
Daniel R. Ballon +5 more
openalex +1 more source
Two small molecules, SACC‐0039590 and SACC‐0428788, killed cattle fever tick, R. microplus, susceptible Deutch strain and pyrethroid resistant Arauquita strain larvae. SACC‐0039590 at 1 mM decreased the reproductive parameters of Deutch females. Abstract BACKGROUND Resistance to acaricides underscores the need for tick control alternatives.
Waleed M. Arafa +2 more
wiley +1 more source
Letter to editor: SIGMAR1 screened by a GPCR-related classifier regulates endoplasmic reticulum stress in bladder cancer. [PDF]
Zhang X, Cong Y, Zheng X, Wu G.
europepmc +1 more source
Molecular Mechanism of Action of Pharmacoperone Rescue of Misrouted GPCR Mutants: The GnRH Receptor [PDF]
Jo Ann Janovick +7 more
openalex +1 more source
Unraveling the Metabolic Influence of Olfactory Receptors in Cancer Cells
ORs are aberrantly expressed in various tumor types and regulate cancer cell metabolism through nonclassical signaling pathways, including PI3K/Akt, MAPK, and ERK. These receptors influence tumor proliferation, invasion, and immune evasion. Specific OR–ligand interactions offer promising opportunities for targeted cancer therapy and early diagnosis ...
Chengzhilin Li +6 more
wiley +1 more source
Functional Autoantibodies Targeting G-Protein-Coupled Receptors and Their Clinical Phenotype in Patients with Long-COVID. [PDF]
Hofmann S +15 more
europepmc +1 more source

