Identifying the receptor subtype selectivity of retinoid X and retinoic acid receptors via quantum mechanics
Sign Up to like & getrecommendations! Published in 2017 at "FEBS Open Bio"
DOI: 10.1002/2211-5463.12188
Abstract: Understanding and identifying the receptor subtype selectivity of a ligand is an important issue in the field of drug discovery. Using a combination of classical molecular mechanics and quantum mechanical calculations, this report assesses the… read more here.
Keywords: receptor; subtype selectivity; receptor subtype; mechanics ... See more keywords
Structure-dependent receptor subtype selectivity and G protein subtype preference of heterocyclic agonists in heterologously expressed silkworm octopamine receptors.
Sign Up to like & getrecommendations! Published in 2021 at "Pesticide biochemistry and physiology"
DOI: 10.1016/j.pestbp.2021.104895
Abstract: (R)-Octopamine (OA), a major invertebrate biogenic amine, plays an important role in a wide variety of physiological processes as a neurohormone, neuromodulator, and neurotransmitter in insects. OA receptors (OARs) are class A G protein-coupled receptors… read more here.
Keywords: subtype selectivity; dependent receptor; receptor subtype; subtype ... See more keywords
Changes in Potency and Subtype Selectivity of Bivalent NaV Toxins are Knot-Specific.
Sign Up to like & getrecommendations! Published in 2023 at "Bioconjugate chemistry"
DOI: 10.1021/acs.bioconjchem.3c00135
Abstract: Disulfide-rich peptide toxins have long been studied for their ability to inhibit voltage-gated sodium channel subtype NaV1.7, a validated target for the treatment of pain. In this study, we sought to combine the pore blocking… read more here.
Keywords: subtype selectivity; ligation; chemistry; gating modifier ... See more keywords
The tarantula toxin β/δ-TRTX-Pre1a highlights the importance of the S1-S2 voltage-sensor region for sodium channel subtype selectivity
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DOI: 10.1038/s41598-017-01129-0
Abstract: Voltage-gated sodium (NaV) channels are essential for the transmission of pain signals in humans making them prime targets for the development of new analgesics. Spider venoms are a rich source of peptide modulators useful to… read more here.
Keywords: subtype selectivity; voltage; pre1a; nav channels ... See more keywords
Determinants for α4β2 vs. α3β4 Subtype Selectivity of Pyrrolidine-Based nAChRs Ligands: A Computational Perspective with Focus on Recent cryo-EM Receptor Structures
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DOI: 10.3390/molecules26123603
Abstract: The selectivity of α4β2 nAChR agonists over the α3β4 nicotinic receptor subtype, predominant in ganglia, primarily conditions their therapeutic range and it is still a complex and challenging issue for medicinal chemists and pharmacologists. Here,… read more here.
Keywords: subtype selectivity; pyrrolidine based; determinants subtype; receptor ... See more keywords