AIMC Topic: Serotonin 5-HT2 Receptor Antagonists

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Assessing the effects of 5-HT and 5-HT receptor antagonists on DOI-induced head-twitch response in male rats using marker-less deep learning algorithms.

Pharmacological reports : PR Nov 27, 2024
BACKGROUND: Serotonergic psychedelics, which display a high affinity and specificity for 5-HT receptors like 2,5-dimethoxy-4-iodoamphetamine (DOI), reliably induce a head-twitch response in rodents characterized by paroxysmal, high-frequency head rot...
Algorithms Animals Male Deep Learning Rats Dose-Response Relationship, Drug Hallucinogens Receptor, Serotonin, 5-HT2A Serotonin Antagonists Head Movements Serotonin 5-HT2 Receptor Antagonists Amphetamines
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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 Molecular Docking Simulation Drug Design Drug Discovery Deep Learning Ligands Receptor, Serotonin, 5-HT2A Protein Conformation Cryoelectron Microscopy Small Molecule Libraries Protein Folding Serotonin 5-HT2 Receptor Agonists Serotonin 5-HT2 Receptor Antagonists Receptors, sigma
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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...
Humans Machine Learning Animals Protein Binding Models, Molecular Gene Expression Kinetics Amino Acid Sequence Protein Stability Receptor, Serotonin, 5-HT2C Crystallography, X-Ray Binding Sites Protein Engineering Thermodynamics Sequence Alignment Sequence Homology, Amino Acid Protein Interaction Domains and Motifs Protein Conformation, alpha-Helical Protein Conformation, beta-Strand Point Mutation Serotonin 5-HT2 Receptor Agonists Serotonin 5-HT2 Receptor Antagonists
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