Cargando…

Functionalized 4-Hydroxy Coumarins: Novel Synthesis, Crystal Structure and DFT Calculations

A novel short-step methodology for the synthesis in good yields of functionalized coumarins has been developed starting from an activated precursor, the N-hydroxysuccinimide ester of O-acetylsalicylic acid. The procedure is based on a tandem C-acylation-cyclization process under mild reaction condit...

Descripción completa

Detalles Bibliográficos
Autores principales:	Stefanou, Valentina, Matiadis, Dimitris, Melagraki, Georgia, Afantitis, Antreas, Athanasellis, Giorgos, Igglessi-Markopoulou, Olga, McKee, Vickie, Markopoulos, John
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2011
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259271/ https://www.ncbi.nlm.nih.gov/pubmed/21217604 http://dx.doi.org/10.3390/molecules16010384

Ejemplares similares

Synthesis and Crystal Structure Characterization of Zinc (II) Tetronic Acid Complexes
por: Prousis, K. C., et al.
Publicado: (2010)

Coordination Behavior of 3-Ethoxycarbonyltetronic Acid towards Cu(II) and Co(II) Metal Ions
por: Athanasellis, Giorgos, et al.
Publicado: (2008)

X-Ray Crystallographic Analysis, EPR Studies, and Computational Calculations of a Cu(II) Tetramic Acid Complex
por: Matiadis, Dimitrios, et al.
Publicado: (2017)

Tetramic and Tetronic Acids as Scaffolds in Bioinorganic and Bioorganic Chemistry
por: Athanasellis, G., et al.
Publicado: (2010)

Ruthenium-Catalyzed Selective Hydrogenation of bis-Arylidene Tetramic Acids. Application to the Synthesis of Novel Structurally Diverse Pyrrolidine-2,4-diones
por: Karaiskos, Christos S., et al.
Publicado: (2011)

Solid-Phase Synthesis of Optically Active Substituted 2-Aminofuranones Using an Activated Carbonate Linker
por: Matiadis, Dimitris, et al.
Publicado: (2009)

Open Source Chemoinformatics Software including KNIME Analytics
por: Leonis, Georgios, et al.
Publicado: (2016)

Read-across predictions of nanoparticle hazard endpoints: a mathematical optimization approach
por: Varsou, Dimitra-Danai, et al.
Publicado: (2019)

Computer-Aided Drug Design of β-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer’s Therapeutics
por: Mouchlis, Varnavas D., et al.
Publicado: (2020)

In Silico Identification and Evaluation of Natural Products as Potential Tumor Necrosis Factor Function Inhibitors Using Advanced Enalos Asclepios KNIME Nodes
por: Papadopoulou, Dimitra, et al.
Publicado: (2021)

Editorial for the Special Issue From Nanoinformatics to Nanomaterials Risk Assessment and Governance
por: Lynch, Iseult, et al.
Publicado: (2021)

A Systematic Review of Deep Learning Methodologies Used in the Drug Discovery Process with Emphasis on In Vivo Validation
por: Koutroumpa, Nikoletta-Maria, et al.
Publicado: (2023)

Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein
por: Moschovou, Kalliopi, et al.
Publicado: (2023)

In Silico Discovery of Plant-Origin Natural Product Inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)
por: Melagraki, Georgia, et al.
Publicado: (2018)

A safe-by-design tool for functionalised nanomaterials through the Enalos Nanoinformatics Cloud platform
por: Varsou, Dimitra-Danai, et al.
Publicado: (2018)

Structure-Based Discovery of Novel Chemical Classes of Autotaxin Inhibitors
por: Magkrioti, Christiana, et al.
Publicado: (2020)

Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)
por: Melagraki, Georgia, et al.
Publicado: (2017)

Manually curated transcriptomics data collection for toxicogenomic assessment of engineered nanomaterials
por: Saarimäki, Laura Aliisa, et al.
Publicado: (2021)

Advances in De Novo Drug Design: From Conventional to Machine Learning Methods
por: Mouchlis, Varnavas D., et al.
Publicado: (2021)

Novel Fluorescent Benzothiazolyl-Coumarin Hybrids as Anti-SARS-COVID-2 Agents Supported by Molecular Docking Studies: Design, Synthesis, X-ray Crystal Structures, DFT, and TD-DFT/PCM Calculations
por: Abdallah, Amira E. M., et al.
Publicado: (2023)

Bis{2,6-bis[(2-hydroxy-5-methylphenyl)iminomethyl]pyridine} monohydrate
por: Kose, Muhammet, et al.
Publicado: (2011)

Comparison of crystal structure and DFT calculations of triferrocenyl trithiophosphite’s conformance
por: Shekurov, Ruslan P, et al.
Publicado: (2022)

Enalos KNIME nodes: exploring environmental durability, ageing resistance and corrosion inhibition
por: Tsoumanis, A, et al.
Publicado: (2013)

An In Vitro Dosimetry Tool for the Numerical Transport Modeling of Engineered Nanomaterials Powered by the Enalos RiskGONE Cloud Platform
por: Cheimarios, Nikolaos, et al.
Publicado: (2022)

2-(5-Bromo-2-hydroxyphenyl)-1,2-dihydroquinazolin-4(3H)-one
por: M. Boghaei, Davar, et al.
Publicado: (2008)

4-[(2-Hydroxy-1-naphthyl)methylideneamino]benzoic acid
por: Akkurt, Mehmet, et al.
Publicado: (2008)

Fluorescent sensing platform for low-cost detection of Cu2+ by coumarin derivative: DFT calculation and practical application in herbal and black tea samples
por: SAVRAN, Tahir, et al.
Publicado: (2020)

Synthesis and Characterization of Some New 4-Hydroxy-coumarin Derivatives
por: Al-Majedy, Yasameen K., et al.
Publicado: (2014)

Synthesis, Optical Characterization in Solution and Solid-State, and DFT Calculations of 3-Acetyl and 3-(1′-(2′-Phenylhydrazono)ethyl)-coumarin-(7)-substituted Derivatives
por: Villa-Martínez, Cesar A., et al.
Publicado: (2022)

Antioxidant Activity of 3-[N-(Acylhydrazono)ethyl]-4-hydroxy-coumarins
por: Kotali, Antigoni, et al.
Publicado: (2016)

Defining the Surface Oxygen Threshold That Switches the Interaction Mode of Graphene Oxide with Bacteria
por: Guo, Zhiling, et al.
Publicado: (2023)

Electron, phonon and thermoelectric properties of Cu(7)PS(6) crystal calculated at DFT level
por: Andriyevsky, B., et al.
Publicado: (2021)

Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations
por: Tiwari, Surbhi, et al.
Publicado: (2021)

Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform
por: Papadiamantis, Anastasios G., et al.
Publicado: (2020)

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials
por: van Rijn, Jeaphianne, et al.
Publicado: (2022)

Microwave assisted synthesis of coumarin-purine derivatives: An approach to in vitro anti-oxidant, DNA cleavage, crystal structure, DFT studies and Hirshfeld surface analysis
por: Mangasuli, Sumitra N., et al.
Publicado: (2019)

The Grapefruit Effect: Interaction between Cytochrome P450 and Coumarin Food Components, Bergamottin, Fraxidin and Osthole. X-ray Crystal Structure and DFT Studies
por: Rossi, Miriam, et al.
Publicado: (2020)

Analysis of Fluorescence Quenching of Coumarin Derivatives by 4-Hydroxy-TEMPO in Aqueous Solution
por: Żamojć, Krzysztof, et al.
Publicado: (2013)

Chemosensing Properties of Coumarin Derivatives: Promising Agents with Diverse Pharmacological Properties, Docking and DFT Investigation
por: Al-Hazmy, Sadeq M., et al.
Publicado: (2022)

Mesoionic tetrazolium-5-aminides: Synthesis, molecular and crystal structures, UV–vis spectra, and DFT calculations
por: Budevich, Vladislav A, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_u18qg5hahp7mielditcks00uu5