ArticleACS medicinal chemistry letters2015
Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Article in ACS medicinal chemistry letters, 2015. 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, 45 citations in OpenAlex.
- Article
- Evaluation of phytochemicals from Tamarindus indica as a potential catechol-O-methyltransferase (COMT) inhibitor: an in-silico approach for Parkinson's disease.Scientific reports · 2026Article
- Integrating high-resolution bioassay profiling with affinity-based ligand fishing for unveiling galloylated derivatives as novel catechol-Journal of pharmaceutical analysis · 2026Article
- Benchmark CCSD(T) and Density Functional Theory Calculations of Biologically Relevant Catecholic Systems.The journal of physical chemistry. B · 2025Article
- Trends on Potential Boron-containing Drugs by Advancements in Ligand-protein Crystals Complexes.Current medicinal chemistry · 2025Review
- Hydroxypyrone derivatives in drug discovery: from chelation therapy to rational design of metalloenzyme inhibitors.RSC medicinal chemistry · 2022Review
- 1-Hydroxy-2(1Molecules (Basel, Switzerland) · 2022Article
- Synthesis and Evaluation of Bicyclic Hydroxypyridones as Inhibitors of CatecholACS medicinal chemistry letters · 2019Article
- Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-ACS catalysis · 2019Article
- Targeting Metalloenzymes for Therapeutic Intervention.Chemical reviews · 2019Review
- Crystallographic and Computational Characterization of Methyl Tetrel Bonding in S-Adenosylmethionine-Dependent Methyltransferases.Molecules (Basel, Switzerland) · 2018Article
- Advantages of Structure-Based Drug Design Approaches in Neurological Disorders.Current neuropharmacology · 2017Review
- Article
- How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase.The journal of physical chemistry. B · 2016Article
- Computational Investigation of the Interplay of Substrate Positioning and Reactivity in Catechol O-Methyltransferase.PloS one · 2016Article
Corrections and comments
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Authors and funding
18 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
3-Hydroxy-4-pyridinones and 5-hydroxy-4-pyrimidinones were identified as inhibitors of catechol-O-methyltransferase (COMT) in a high-throughput screen. These heterocyclic catechol mimics exhibit potent inhibition of the enzyme and an improved toxicity profile versus the marketed nitrocatechol inhibitors tolcapone and entacapone. Optimization of the series was aided by X-ray cocrystal structures of the novel inhibitors in complex with COMT and cofactors SAM and Mg(2+). The crystal structures suggest a mechanism of inhibition for these heterocyclic inhibitors distinct from previously disclosed COMT inhibitors.
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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.