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  1. AU="Clausen, Mads H"
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  1. Artikel ; Online: Library Design Strategies To Accelerate Fragment-Based Drug Discovery.

    Troelsen, Nikolaj S / Clausen, Mads H

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2020  Band 26, Heft 50, Seite(n) 11391–11403

    Abstract: Fragment-based drug discovery (FBDD) has become an established approach for the generation of early lead candidates. However, despite its success and inherent advantages, hit-to-candidate progression for FBDD is not necessarily faster than that of ... ...

    Abstract Fragment-based drug discovery (FBDD) has become an established approach for the generation of early lead candidates. However, despite its success and inherent advantages, hit-to-candidate progression for FBDD is not necessarily faster than that of traditional high-throughput screening. Thus, new technology-driven library design strategies have emerged as a means to facilitate more efficient fragment screening and/or subsequent fragment-to-hit chemistry. This minireview discusses such strategies, which cover the use of labeled fragments for NMR spectroscopy, X-ray crystallographic screening of specialized fragments, covalent linkage for mass spectrometry, dynamic combinatorial chemistry, and fragments optimized for easy elaboration.
    Mesh-Begriff(e) Crystallography, X-Ray ; Drug Design ; Drug Discovery ; High-Throughput Screening Assays ; Magnetic Resonance Spectroscopy
    Sprache Englisch
    Erscheinungsdatum 2020-07-20
    Erscheinungsland Germany
    Dokumenttyp Journal Article ; Review
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.202000584
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  2. Artikel ; Online: Small-Molecule Inhibitors of Reactive Oxygen Species Production.

    Sassetti, Elisa / Clausen, Mads H / Laraia, Luca

    Journal of medicinal chemistry

    2021  Band 64, Heft 9, Seite(n) 5252–5275

    Abstract: Reactive oxygen species (ROS) are involved in physiological cellular processes including differentiation, proliferation, and apoptosis by acting as signaling molecules or regulators of transcription factors. The maintenance of appropriate cellular ROS ... ...

    Abstract Reactive oxygen species (ROS) are involved in physiological cellular processes including differentiation, proliferation, and apoptosis by acting as signaling molecules or regulators of transcription factors. The maintenance of appropriate cellular ROS levels is termed redox homeostasis, a balance between their production and neutralization. High concentrations of ROS may contribute to severe pathological events including cancer, neurodegenerative, and cardiovascular diseases. In recent years, approaches to target the sources of ROS production directly in order to develop tool compounds or potential therapeutics have been explored. Herein, we briefly outline the major sources of cellular ROS production and comprehensively review the targeting of these by small-molecule inhibitors. We critically assess the value of ROS inhibitors with different mechanisms-of-action, including their potency, mode-of-action, known off-target effects, and clinical or preclinical status, while suggesting future avenues of research in the field.
    Mesh-Begriff(e) Animals ; Ferroptosis/drug effects ; Free Radical Scavengers/chemistry ; Humans ; Mitochondria/drug effects ; Mitochondria/metabolism ; Monoamine Oxidase/chemistry ; Monoamine Oxidase/metabolism ; NADPH Oxidases/antagonists & inhibitors ; NADPH Oxidases/metabolism ; Reactive Oxygen Species/chemistry ; Reactive Oxygen Species/metabolism ; Small Molecule Libraries/chemistry ; Small Molecule Libraries/pharmacology ; Xanthine Dehydrogenase/chemistry ; Xanthine Dehydrogenase/metabolism
    Chemische Substanzen Free Radical Scavengers ; Reactive Oxygen Species ; Small Molecule Libraries ; Xanthine Dehydrogenase (EC 1.17.1.4) ; Monoamine Oxidase (EC 1.4.3.4) ; NADPH Oxidases (EC 1.6.3.-)
    Sprache Englisch
    Erscheinungsdatum 2021-04-15
    Erscheinungsland United States
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't ; Review
    ZDB-ID 218133-2
    ISSN 1520-4804 ; 0022-2623
    ISSN (online) 1520-4804
    ISSN 0022-2623
    DOI 10.1021/acs.jmedchem.0c01914
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  3. Artikel ; Online: Small-molecule modulators of tumor necrosis factor signaling.

    Chédotal, Henri / Narayanan, Dilip / Povlsen, Katrine / Gotfredsen, Charlotte H / Brambilla, Roberta / Gajhede, Michael / Bach, Anders / Clausen, Mads H

    Drug discovery today

    2023  Band 28, Heft 6, Seite(n) 103575

    Abstract: Tumor necrosis factor (TNF) is a pleiotropic cytokine with a major role in immune system homeostasis and is involved in many inflammatory and autoimmune diseases, such as rheumatoid arthritis (RA), psoriasis, Alzheimer's disease (AD), and multiple ... ...

    Abstract Tumor necrosis factor (TNF) is a pleiotropic cytokine with a major role in immune system homeostasis and is involved in many inflammatory and autoimmune diseases, such as rheumatoid arthritis (RA), psoriasis, Alzheimer's disease (AD), and multiple sclerosis (MS). Thus, TNF and its receptors, TNFR1 and TNFR2, are relevant pharmacological targets. Biologics have been developed to block TNF-dependent signaling cascades, but they display serious side effects, and their pharmacological effectiveness decreases over time because of their immunogenicity. In this review, we present recent discoveries in small molecules targeting TNF and its receptors and discuss alternative strategies for modulating TNF signaling.
    Mesh-Begriff(e) Humans ; Receptors, Tumor Necrosis Factor, Type I/therapeutic use ; Cytokines ; Autoimmune Diseases/drug therapy ; Tumor Necrosis Factor-alpha ; Arthritis, Rheumatoid ; Multiple Sclerosis
    Chemische Substanzen Receptors, Tumor Necrosis Factor, Type I ; Cytokines ; Tumor Necrosis Factor-alpha
    Sprache Englisch
    Erscheinungsdatum 2023-03-30
    Erscheinungsland England
    Dokumenttyp Journal Article ; Review ; Research Support, Non-U.S. Gov't
    ZDB-ID 1324988-5
    ISSN 1878-5832 ; 1359-6446
    ISSN (online) 1878-5832
    ISSN 1359-6446
    DOI 10.1016/j.drudis.2023.103575
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  4. Artikel: Microscale thermophoresis as a powerful tool for screening glycosyltransferases involved in cell wall biosynthesis.

    Shao, Wanchen / Sharma, Rita / Clausen, Mads H / Scheller, Henrik V

    Plant methods

    2020  Band 16, Seite(n) 99

    Abstract: Background: Identification and characterization of key enzymes associated with cell wall biosynthesis and modification is fundamental to gain insights into cell wall dynamics. However, it is a challenge that activity assays of glycosyltransferases are ... ...

    Abstract Background: Identification and characterization of key enzymes associated with cell wall biosynthesis and modification is fundamental to gain insights into cell wall dynamics. However, it is a challenge that activity assays of glycosyltransferases are very low throughput and acceptor substrates are generally not available.
    Results: We optimized and validated microscale thermophoresis (MST) to achieve high throughput screening for glycosyltransferase substrates. MST is a powerful method for the quantitative analysis of protein-ligand interactions with low sample consumption. The technique is based on the motion of molecules along local temperature gradients, measured by fluorescence changes. We expressed glycosyltransferases as YFP-fusion proteins in tobacco and optimized the MST method to allow the determination of substrate binding affinity without purification of the target protein from the cell lysate. The application of this MST method to the β-1,4-galactosyltransferase
    Conclusions: This method is rapid and sensitive to allow determination of both donor and acceptor substrates of glycosyltransferases. MST enables high throughput screening of glycosyltransferases for likely substrates, which will narrow down their in vivo function and help to select candidates for further studies. Additionally, this method gives insight into biochemical mechanism of glycosyltransferase function.
    Sprache Englisch
    Erscheinungsdatum 2020-07-28
    Erscheinungsland England
    Dokumenttyp Journal Article
    ZDB-ID 2203723-8
    ISSN 1746-4811
    ISSN 1746-4811
    DOI 10.1186/s13007-020-00641-1
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  5. Artikel ; Online: S-Glycosides: synthesis of S-linked arabinoxylan oligosaccharides.

    Romanò, Cecilia / Jiang, Hao / Boos, Irene / Clausen, Mads H

    Organic & biomolecular chemistry

    2020  Band 18, Heft 14, Seite(n) 2696–2701

    Abstract: S-Glycosides are important tools for the elucidation of specific protein-carbohydrate interactions and can significantly aid structural and functional studies of carbohydrate-active enzymes, as they are often inert or act as enzyme inhibitors. In this ... ...

    Abstract S-Glycosides are important tools for the elucidation of specific protein-carbohydrate interactions and can significantly aid structural and functional studies of carbohydrate-active enzymes, as they are often inert or act as enzyme inhibitors. In this context, this work focuses on the introduction of an S-linkage into arabinoxylan oligosaccharides (AXs) in order to obtain a small collection of synthetic tools for the study of AXs degrading enzymes. The key step for the introduction of the S-glycosidic linkage involved anomeric thiol S-alkylation of an orthogonally protected l-arabinopyranoside triflate. The resulting S-linked disaccharide was subsequently employed in a series of glycosylation reactions to obtain a selectively protected tetrasaccharide. This could be further elaborated through chemoselective deprotection and glycosylation reactions to introduce branching l-arabinofuranosides.
    Mesh-Begriff(e) Arabinose/analogs & derivatives ; Arabinose/chemistry ; Cross-Linking Reagents/chemistry ; Disaccharides/chemical synthesis ; Glycosides/chemistry ; Glycosylation ; Oligosaccharides/chemistry ; Sulfhydryl Compounds/chemistry ; Xylans/chemistry
    Chemische Substanzen Cross-Linking Reagents ; Disaccharides ; Glycosides ; Oligosaccharides ; Sulfhydryl Compounds ; Xylans ; arabinofuranose ; arabinoxylan (9040-27-1) ; Arabinose (B40ROO395Z)
    Sprache Englisch
    Erscheinungsdatum 2020-03-05
    Erscheinungsland England
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2097583-1
    ISSN 1477-0539 ; 1477-0520
    ISSN (online) 1477-0539
    ISSN 1477-0520
    DOI 10.1039/d0ob00470g
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  6. Artikel ; Online: Rhamnogalacturonan II: Chemical Synthesis of a Substructure Including α-2,3-Linked Kdo*.

    Mancuso, Enzo / Romanò, Cecilia / Trattnig, Nino / Gritsch, Philipp / Kosma, Paul / Clausen, Mads H

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2021  Band 27, Heft 24, Seite(n) 7099–7102

    Abstract: The synthesis of a fully deprotected Kdo-containing rhamnogalacturonan II pentasaccharide is described. The strategy relies on the preparation of a suitably protected homogalacturonan tetrasaccharide backbone, through a post-glycosylation oxidation ... ...

    Abstract The synthesis of a fully deprotected Kdo-containing rhamnogalacturonan II pentasaccharide is described. The strategy relies on the preparation of a suitably protected homogalacturonan tetrasaccharide backbone, through a post-glycosylation oxidation approach, and its stereoselective glycosylation with a Kdo fluoride donor.
    Sprache Englisch
    Erscheinungsdatum 2021-04-09
    Erscheinungsland Germany
    Dokumenttyp Journal Article
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.202100837
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  7. Artikel ; Online: Fragment-Based Drug Discovery for RNA Targets.

    Lundquist, Kasper P / Panchal, Vipul / Gotfredsen, Charlotte H / Brenk, Ruth / Clausen, Mads H

    ChemMedChem

    2021  Band 16, Heft 17, Seite(n) 2588–2603

    Abstract: Rapid development within the fields of both fragment-based drug discovery (FBDD) and medicinal targeting of RNA provides possibilities for combining technologies and methods in novel ways. This review provides an overview of fragment-based screening (FBS) ...

    Abstract Rapid development within the fields of both fragment-based drug discovery (FBDD) and medicinal targeting of RNA provides possibilities for combining technologies and methods in novel ways. This review provides an overview of fragment-based screening (FBS) against RNA targets, including a discussion of the most recently used screening and hit validation methods such as NMR spectroscopy, X-ray crystallography, and virtual screening methods. A discussion of fragment library design based on research from small-molecule RNA binders provides an overview on both the currently limited guidelines within RNA-targeting fragment library design, and future possibilities. Finally, future perspectives are provided on screening and hit validation methods not yet used in combination with both fragment screening and RNA targets.
    Mesh-Begriff(e) Drug Discovery ; Drug Evaluation, Preclinical ; RNA/drug effects ; Small Molecule Libraries/chemistry ; Small Molecule Libraries/pharmacology
    Chemische Substanzen Small Molecule Libraries ; RNA (63231-63-0)
    Sprache Englisch
    Erscheinungsdatum 2021-08-10
    Erscheinungsland Germany
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't ; Review
    ZDB-ID 2218496-X
    ISSN 1860-7187 ; 1860-7179
    ISSN (online) 1860-7187
    ISSN 1860-7179
    DOI 10.1002/cmdc.202100324
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  8. Artikel: Microscale thermophoresis as a powerful tool for screening glycosyltransferases involved in cell wall biosynthesis

    Shao, Wanchen / Sharma, Rita / Clausen, Mads H / Scheller, Henrik V

    Plant methods. 2020 Dec., v. 16, no. 1

    2020  

    Abstract: BACKGROUND: Identification and characterization of key enzymes associated with cell wall biosynthesis and modification is fundamental to gain insights into cell wall dynamics. However, it is a challenge that activity assays of glycosyltransferases are ... ...

    Abstract BACKGROUND: Identification and characterization of key enzymes associated with cell wall biosynthesis and modification is fundamental to gain insights into cell wall dynamics. However, it is a challenge that activity assays of glycosyltransferases are very low throughput and acceptor substrates are generally not available. RESULTS: We optimized and validated microscale thermophoresis (MST) to achieve high throughput screening for glycosyltransferase substrates. MST is a powerful method for the quantitative analysis of protein–ligand interactions with low sample consumption. The technique is based on the motion of molecules along local temperature gradients, measured by fluorescence changes. We expressed glycosyltransferases as YFP-fusion proteins in tobacco and optimized the MST method to allow the determination of substrate binding affinity without purification of the target protein from the cell lysate. The application of this MST method to the β-1,4-galactosyltransferase AtGALS1 validated the capability to screen both nucleotide-sugar donor substrates and acceptor substrates. We also expanded the application to members of glycosyltransferase family GT61 in sorghum for substrate screening and function prediction. CONCLUSIONS: This method is rapid and sensitive to allow determination of both donor and acceptor substrates of glycosyltransferases. MST enables high throughput screening of glycosyltransferases for likely substrates, which will narrow down their in vivo function and help to select candidates for further studies. Additionally, this method gives insight into biochemical mechanism of glycosyltransferase function.
    Schlagwörter binding capacity ; biosynthesis ; cell walls ; enzyme substrates ; fluorescence ; glycosyltransferases ; high-throughput screening methods ; prediction ; proteins ; quantitative analysis ; screening ; temperature profiles ; tobacco
    Sprache Englisch
    Erscheinungsverlauf 2020-12
    Umfang p. 99.
    Erscheinungsort BioMed Central
    Dokumenttyp Artikel
    ISSN 1746-4811
    DOI 10.1186/s13007-020-00641-1
    Datenquelle NAL Katalog (AGRICOLA)

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  9. Artikel ; Online: A Concise Total Synthesis of the Fungal Isoquinoline Alkaloid TMC-120B.

    Haidar, Ahmad K / Kjeldsen, Niels D / Troelsen, Nikolaj S / Previtali, Viola / Lundquist, Kasper P / Larsen, Thomas O / Clausen, Mads H

    Molecules (Basel, Switzerland)

    2022  Band 27, Heft 2

    Abstract: Recent reports of antiepileptic activity of the fungal alkaloid TMC-120B have renewed the interest in this natural product. Previous total syntheses of TMC-120B comprise many steps and have low overall yields (11-17 steps, 1.5-2.9% yield). Thus, to ... ...

    Abstract Recent reports of antiepileptic activity of the fungal alkaloid TMC-120B have renewed the interest in this natural product. Previous total syntheses of TMC-120B comprise many steps and have low overall yields (11-17 steps, 1.5-2.9% yield). Thus, to access this compound more efficiently, we herein present a concise and significantly improved total synthesis of the natural product. Our short synthesis relies on two key cyclization steps to assemble the central scaffold: isoquinoline formation via an ethynyl-imino cyclization and an intramolecular Friedel-Crafts reaction to form the furanone.
    Mesh-Begriff(e) Alkaloids/chemistry ; Aspergillus/chemistry ; Benzofurans/chemical synthesis ; Benzofurans/chemistry ; Cyclization ; Isoquinolines/chemical synthesis ; Isoquinolines/chemistry ; Molecular Structure ; Stereoisomerism
    Chemische Substanzen Alkaloids ; Benzofurans ; Isoquinolines ; TMC 120B
    Sprache Englisch
    Erscheinungsdatum 2022-01-14
    Erscheinungsland Switzerland
    Dokumenttyp Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules27020521
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  10. Artikel ; Online: Prodrug strategies for targeted therapy triggered by reactive oxygen species.

    Peiró Cadahía, Jorge / Previtali, Viola / Troelsen, Nikolaj S / Clausen, Mads H

    MedChemComm

    2019  Band 10, Heft 9, Seite(n) 1531–1549

    Abstract: Increased levels of reactive oxygen species (ROS) have been associated with numerous pathophysiological conditions including cancer and inflammation and the ROS stimulus constitutes a potential trigger for drug delivery strategies. Over the past decade, ... ...

    Abstract Increased levels of reactive oxygen species (ROS) have been associated with numerous pathophysiological conditions including cancer and inflammation and the ROS stimulus constitutes a potential trigger for drug delivery strategies. Over the past decade, a number of ROS-sensitive functionalities have been identified with the purpose of introducing disease-targeting properties into small molecule drugs - a prodrug strategy that offers a promising approach for increasing the selectivity and efficacy of treatments. This review will provide an overview of the ROS-responsive prodrugs developed to date. A discussion on the current progress and limitations is provided along with a reflection on the unanswered questions that need to be addressed in order to advance this novel approach to the clinic.
    Sprache Englisch
    Erscheinungsdatum 2019-05-08
    Erscheinungsland England
    Dokumenttyp Journal Article ; Review
    ZDB-ID 2545949-1
    ISSN 2040-2511 ; 2040-2503
    ISSN (online) 2040-2511
    ISSN 2040-2503
    DOI 10.1039/c9md00169g
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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