AIMC Topic: Serotonin 5-HT2 Receptor Agonists

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AlphaFold2 structures guide prospective ligand discovery.

Science (New York, N.Y.) Jun 21, 2024
AlphaFold2 (AF2) models have had wide impact but mixed success in retrospective ligand recognition. We prospectively docked large libraries against unrefined AF2 models of the σ and serotonin 2A (5-HT2A) receptors, testing hundreds of new molecules a...
Humans Cryoelectron Microscopy Small Molecule Libraries Protein Conformation Serotonin 5-HT2 Receptor Antagonists Receptors, sigma Serotonin 5-HT2 Receptor Agonists Protein Folding Deep Learning Receptor, Serotonin, 5-HT2A Ligands Drug Design Drug Discovery Molecular Docking Simulation
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Spectral signatures of serotonergic psychedelics and glutamatergic dissociatives.

NeuroImage Jun 24, 2019
Classic serotonergic psychedelics are remarkable for their capacity to induce reversible alterations in consciousness of the self and the surroundings, mediated by agonism at serotonin 5-HT receptors. The subjective effects elicited by dissociative d...
Serotonin 5-HT2 Receptor Agonists Excitatory Amino Acid Antagonists Magnetoencephalography Psilocybin Lysergic Acid Diethylamide Connectome Nerve Net Brain Waves Hallucinogens Receptors, N-Methyl-D-Aspartate Ketamine Adult Humans Machine Learning
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Computational design of thermostabilizing point mutations for G protein-coupled receptors.

eLife Jun 21, 2018
Engineering of GPCR constructs with improved thermostability is a key for successful structural and biochemical studies of this transmembrane protein family, targeted by 40% of all therapeutic drugs. Here we introduce a comprehensive computational ap...
Sequence Homology, Amino Acid Protein Conformation, alpha-Helical Amino Acid Sequence Protein Binding Crystallography, X-Ray Protein Interaction Domains and Motifs Protein Stability Gene Expression Binding Sites Thermodynamics Kinetics Models, Molecular Serotonin 5-HT2 Receptor Antagonists Sequence Alignment Receptor, Serotonin, 5-HT2C Machine Learning Point Mutation Protein Engineering Humans Animals Protein Conformation, beta-Strand Serotonin 5-HT2 Receptor Agonists
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