ArticleACS chemical neuroscience2023
Insight into the Binding of First- and Second-Generation PET Tracers to 4R and 3R/4R Tau Protofibrils.
Article in ACS chemical neuroscience, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed, 19 citations in OpenAlex.
- Striatal Tau Pathology Underlies Monoaminergic Disruption in Progressive Supranuclear Palsy.Clinical nuclear medicine · 2026Article
- Integration over reduction: multimodal PET and fluid biomarkers in Alzheimer's disease and beyond.Current opinion in neurology · 2026Review
- Tau conformation, distribution and PET imaging correlations in progressive supranuclear palsy.Translational neurodegeneration · 2026Review
- Diagnostic utility of biomarkers in progressive supranuclear palsy: toward a biotyping framework.Journal of neurology · 2025Review
- Ligands for Protein Fibrils of Amyloid-β, α-Synuclein, and Tau.Chemical reviews · 2025Review
- Revisiting the therapeutic landscape of tauopathies: assessing the current pipeline and clinical trials.Alzheimer's research & therapy · 2025Review
- Structure-Activity Relationships and Evaluation of 2-(Heteroaryl-cycloalkyl)-1Journal of medicinal chemistry · 2025Article
- Radiosynthesis,ACS chemical neuroscience · 2025Article
- Subcortical tau burden correlates with regional brain atrophy and plasma markers in four-repeat tauopathy parkinsonism.Journal of Parkinson's disease · 2025Article
- The Taiwan-ADNI workflow toward integrating plasma p-tau217 into prediction models for the risk of Alzheimer's disease and tau burden.Alzheimer's & dementia : the journal of the Alzheimer's Association · 2025Article
- Asymmetry in Atypical Parkinsonian Syndromes-A Review.Journal of clinical medicine · 2024Review
- Tau accumulation is associated with dopamine deficiency in vivo in four-repeat tauopathies.European journal of nuclear medicine and molecular imaging · 2024Article
- Thiophene-Based Ligands for Specific Assignment of Distinct Aβ Pathologies in Alzheimer's Disease.ACS chemical neuroscience · 2024Article
- Tracing synaptic loss in Alzheimer's brain with SV2A PET-tracer UCB-J.Alzheimer's & dementia : the journal of the Alzheimer's Association · 2024Article
- In Silico and In Vitro Study towards the Rational Design of 4,4'-Disarylbisthiazoles as a Selective α-Synucleinopathy Biomarker.International journal of molecular sciences · 2023Article
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Primary supranuclear palsy (PSP) is a rare neurodegenerative disease that perturbs body movement, eye movement, and walking balance. Similar to Alzheimer's disease (AD), the abnormal aggregation of tau fibrils in the central neuronal and glial cells is a major hallmark of PSP disease. In this study, we use multiple approaches, including docking, molecular dynamics, and metadynamics simulations, to investigate the binding mechanism of 10 first- and second-generations of PET tracers for PSP tau and compare their binding in cortical basal degeneration (CBD) and AD tauopathies. Structure-activity relationships, binding preferences, the nature of ligand binding in terms of basic intermolecular interactions, the role of polar/charged residues, induced-fit mechanisms, grove closures, and folding patterns for the binding of these tracers in PSP, CBD, and AD tau fibrils are evaluated and discussed in detail in order to build a holistic picture of what is essential for the binding and also to rank the potency of the different tracers. For example, we found that the same tracer shows different binding preferences for the surface sites of tau fibrils that are intrinsically distinct in the folding patterns. Results from the metadynamics simulations predict that PMPBB3 and PBB3 exhibit the strongest binding free energies onto the Q
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.