ArticleNature communications2019
Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.
Article in Nature communications, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- A resource-efficient structure-based workflow for fragment progression enables parallel hit discovery and validation of functionally diverse modulators of NCS-1 protein-protein interactions.Chemical science · 2026Article
- FDA Drug Repurposing Uncovers Modulators of Dopamine DJournal of medicinal chemistry · 2025Article
- Dynamic combinatorial chemistry directed by proteins and nucleic acids: a powerful tool for drug discovery.Chemical Society reviews · 2025Review
- Article
- Isomerization of bioactive acylhydrazones triggered by light or thiols.Nature chemistry · 2023Article
- Real-time monitoring of the sialic acid biosynthesis pathway by NMR.Chemical science · 2023Article
- Acylhydrazones and Their Biological Activity: A Review.Molecules (Basel, Switzerland) · 2022Review
- In Situ Inhibitor Synthesis and Screening by Fluorescence Polarization: An Efficient Approach for Accelerating Drug Discovery.Angewandte Chemie (Weinheim an der Bergstrasse, Germany) · 2022Article
- In Situ Inhibitor Synthesis and Screening by Fluorescence Polarization: An Efficient Approach for Accelerating Drug Discovery.Angewandte Chemie (International ed. in English) · 2022Article
- Dynamic Combinatorial Optimization ofJournal of medicinal chemistry · 2022Article
- A preliminary, prospective study of peripheral neuropathy and cognitive function in patients with breast cancer during taxane therapy.PloS one · 2022Article
- Neuronal calcium sensor 1 (NCS1) dependent modulation of neuronal morphology and development.FASEB journal : official publication of the Federation of American Societies for Experimental Biology · 2021Article
- Hit-optimization using target-directed dynamic combinatorial chemistry: development of inhibitors of the anti-infective target 1-deoxy-d-xylulose-5-phosphate synthase.Chemical science · 2021Article
- Biomimetic selenocystine based dynamic combinatorial chemistry for thiol-disulfide exchange.Nature communications · 2021Article
- Protein-Directed Dynamic Combinatorial Chemistry: An Efficient Strategy in Drug Design.ACS omega · 2020Review
- Dynamic Covalent Kinetic Resolution.Catalysis reviews, science and engineering · 2020Article
Corrections and comments
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Authors and funding
19 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Dynamic combinatorial chemistry (DCC) has proven its potential in drug discovery speeding the identification of modulators of biological targets. However, the exchange chemistries typically take place under specific reaction conditions, with limited tools capable of operating under physiological parameters. Here we report a catalyzed protein-directed DCC working at low temperatures that allows the calcium sensor NCS-1 to find the best ligands in situ. Ultrafast NMR identifies the reaction intermediates of the acylhydrazone exchange, tracing the molecular assemblies and getting a real-time insight into the essence of DCC processes at physiological pH. Additionally, NMR, X-ray crystallography and computational methods are employed to elucidate structural and mechanistic aspects of the molecular recognition event. The DCC approach leads us to the identification of a compound stabilizing the NCS-1/Ric8a complex and whose therapeutic potential is proven in a Drosophila model of disease with synaptic alterations.
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Registered trials
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