AIMC Topic: Receptor, Serotonin, 5-HT2A

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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...
Deep Learning Rats Dose-Response Relationship, Drug Algorithms Animals Male Head Movements Serotonin 5-HT2 Receptor Antagonists Amphetamines Hallucinogens Receptor, Serotonin, 5-HT2A Serotonin Antagonists
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Combining machine learning, molecular dynamics, and free energy analysis for (5HT)-2A receptor modulator classification.

Journal of molecular graphics & modelling Aug 5, 2024
The 5-Hydroxytryptamine (5HT)-2A receptor, a key target in psychoactive drug development, presents significant challenges in the design of selective compounds. Here, we describe the construction, evaluation and validation of two machine learning (ML)...
Molecular Docking Simulation Drug Discovery Protein Binding Molecular Dynamics Simulation Receptor, Serotonin, 5-HT2A Thermodynamics Humans Machine Learning
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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...
Drug Design Drug Discovery Deep Learning Humans Molecular Docking Simulation Cryoelectron Microscopy Small Molecule Libraries Protein Folding Ligands Receptor, Serotonin, 5-HT2A Protein Conformation Receptors, sigma Serotonin 5-HT2 Receptor Agonists Serotonin 5-HT2 Receptor Antagonists
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Multimodal brain age prediction using machine learning: combining structural MRI and 5-HT2AR PET-derived features.

GeroScience Apr 26, 2024
To better assess the pathology of neurodegenerative disorders and the efficacy of neuroprotective interventions, it is necessary to develop biomarkers that can accurately capture age-related biological changes in the human brain. Brain serotonin 2A r...
Adolescent Magnetic Resonance Imaging Multimodal Imaging Positron-Emission Tomography Receptor, Serotonin, 5-HT2A Gray Matter Male Aging Middle Aged Young Adult Adult Machine Learning Biomarkers Brain Female Aged Aged, 80 and over Humans
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Automated design and optimization of multitarget schizophrenia drug candidates by deep learning.

European journal of medicinal chemistry Jul 12, 2020
Complex neuropsychiatric diseases such as schizophrenia require drugs that can target multiple G protein-coupled receptors (GPCRs) to modulate complex neuropsychiatric functions. Here, we report an automated system comprising a deep recurrent neural ...
Animals Receptors, Dopamine D2 Drug Discovery Receptor, Serotonin, 5-HT1A Automation Deep Learning Receptor, Serotonin, 5-HT2A Mice Molecular Targeted Therapy Schizophrenia
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A Machine Learning Approach for the Discovery of Ligand-Specific Functional Mechanisms of GPCRs.

Molecules (Basel, Switzerland) Jun 2, 2019
G protein-coupled receptors (GPCRs) play a key role in many cellular signaling mechanisms, and must select among multiple coupling possibilities in a ligand-specific manner in order to carry out a myriad of functions in diverse cellular contexts. Muc...
Humans Binding Sites Drug Design Drug Discovery Machine Learning Ligands Protein Binding Receptors, G-Protein-Coupled Algorithms Receptor, Serotonin, 5-HT2A Molecular Dynamics Simulation Molecular Docking Simulation Quantitative Structure-Activity Relationship
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Principi di farmacodinamica e farmacocinetica nello switch tra antipsicotici: focus su cariprazina.

Rivista di psichiatria Jan 1, 2019
Cariprazina {RGH-188; trans-N- [4- [2- [4- (2,3-diclorofenil) piperazin-1-il] etil] cicloesil] -N_, N_-dimetilurea cloridrato} è un antipsicotico atipico di nuova generazione, con un originale profilo farmacodinamico e farmacocinetico. Cariprazina ha...
Receptor, Serotonin, 5-HT2A Receptor, Serotonin, 5-HT2C Drug Substitution Half-Life Piperazines Ketoconazole Humans Cognition Disorders Anhedonia Time Factors Drug Interactions Cytochrome P-450 CYP2D6 Inducers Antipsychotic Agents Schizophrenia Cytochrome P-450 CYP3A Inducers
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