12 papers · ranked by Valyu relevance
Authors not listed
Toll-like receptors (TLRs) form the first barrier of the innate immune system. TLR8 is an important target to treat autoimmune diseases, since its ligand-induced degree of activation regulates immune response and associated hyperinflammation. Molecular dynamics (MD) simulations have been used to investigate…
Authors not listed
Obesity is one of the fastest-growing global health crises, fueling diabetes, cardiovascular disease, and reduced life expectancy. Glucagon-like peptide-1 (GLP-1) receptor agonists, such as liraglutide, semaglutide, exenatide, and Lixisenatide, have transformed treatment; however, their injection-based delivery, high…
Authors not listed
Targeting retinoic acid-related orphan receptor γ (RORγ) with inverse agonists presents a promising therapeutic strategy for treating autoimmune diseases, including psoriasis, rheumatoid arthritis, and multiple sclerosis. Through structure-based virtual screening, we identified a lupane-type pentacyclic triterpenoid…
Sabine Willems, Romy Busch, Felix Nawa, Marco Ballarotto + 12 more
Nuclear receptor related 1 (Nurr1, NR4A2) is a ligand-sensing transcription factor with neuroprotective and anti-inflammatory roles widely distributed in the CNS. Pharmacological Nurr1 modulation is considered a promising experimental strategy in Parkinson's and Alzheimer's disease but target validation is incomplete.…
Spencer Kim, Dylan Gray, Michelle Shanguhyia, Rachel Steinhardt
Recreating the signaling profile a chemical synapse to analyze serotonin receptor activation is a challenge. This is due in part to the kinetics of the synapse, where neurotransmitters are rapidly released and quickly cleared by active reuptake machinery. One strategy to produce a rapid rise in a bio-orthogonally…
Authors not listed
GPR3 belongs to the protein superfamily of G protein-coupled receptors (GPCRs) and plays a central role in both benign and malignant physiological processes, such as energy expenditure in adipocytes and Alzheimer’s disease pathology, respectively. Despite the therapeutic potential of both receptor agonists and inverse…
David Liu
Resiniferatoxin is a diterpene found in E. resinifera and E. poissonii, and is a more potent functional analog of capsaicin. Resiniferatoxin provides pain relief by binding as an agonist to transient vanilloid receptor 1 (TRPV1), a nociceptive ion channel. Resiniferatoxin targets the TRPV1 channel and activates it…
Felipe Victoria-Muñoz, Norberto Sánchez-Cruz, José L. Medina-Franco, Fabian López-Vallejo
Transcription factors associated with quorum sensing in P. aeruginosa are promising targets for developing new adjuvants against infection by this pathogen. Regulation of these transcription factors offers the possibility of controlling multiple virulence factors related to them, as the development of biofilm…
Vamshi Sammeta, Brian Anderson, John Norris, Chad Torrice + 7 more
Synthetic, structural, and computational approaches were used to solve the puzzle as to how a phenolic nonsteroidal estrogen 1 with only a single H-bond to its receptor was more potent than an isomer 2 which formed an intricate network of H-bonds. Synthesis of a series of substituted phenols revealed that pKa was not a…
Haifeng Tang, Kristian Jensen, Evelyne Houang, Fiona McRobb + 31 more
D-Serine is a co-agonist of the N-methyl D-aspartate (NMDA) receptor, a key excitatory neurotransmitter receptor. In the brain, D-Serine is synthesized from its L-isomer by serine racemase and is metabolized by the D-amino acid oxidase (DAO, DAAO), a flavoenzyme that catalyzes the oxidative degradation of D-amino acids…
Authors not listed
Allosteric modulators offers a promising approach for targeting receptor function in pathological contexts. Although numerous orthosteric ligands have been developed, the discovery of allosteric inhibitors remains limited, hindered by challenges with identifying modulators and the perceived lower druggability of…
Haitao Chen, Robert Bird, DaSheng Wang, Leilani Lotti Diaz + 5 more
CCovalent inhibitors are being used more frequently in drug discovery and is expected to revolutionize how enzyme inhibitors and receptor modulators are created in the future. More than 30 covalent therapies have been approved by the US FDA as a result of this approach, which has produced a wide spectrum of effective…