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Linda Axelsson Jean-Baptiste VeronJonas Sävmarker Jonas LindhLuke R. Odell Mats Larhed 《Tetrahedron letters》2014
A palladium(II)-catalyzed decarboxylative protocol for the synthesis of aryl ketones has been developed. The addition of TFA was shown to improve the reaction yield and employing THF as solvent enabled the use of solid nitriles and in only a small excess. Using this method, five different benzoic acids reacted with a wide range of nitriles to produce 29 diverse (hetero)aryl ketone derivatives in up to 94% yield. 相似文献
43.
Dominik Schumacher Dr. Jonas Helma Anselm F. L. Schneider Prof. Dr. Heinrich Leonhardt Prof. Dr. Christian P. R. Hackenberger 《Angewandte Chemie (International ed. in English)》2018,57(9):2314-2333
Nanobodies can be seen as next‐generation tools for the recognition and modulation of antigens that are inaccessible to conventional antibodies. Due to their compact structure and high stability, nanobodies see frequent usage in basic research, and their chemical functionalization opens the way towards promising diagnostic and therapeutic applications. In this Review, central aspects of nanobody functionalization are presented, together with selected applications. While early conjugation strategies relied on the random modification of natural amino acids, more recent studies have focused on the site‐specific attachment of functional moieties. Such techniques include chemoenzymatic approaches, expressed protein ligation, and amber suppression in combination with bioorthogonal modification strategies. Recent applications range from sophisticated imaging and mass spectrometry to the delivery of nanobodies into living cells for the visualization and manipulation of intracellular antigens. 相似文献
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Nadya Abbood Dr. Tien Duy Vo Dr. Jonas Watzel Dr. Kenan A. J. Bozhueyuek Prof. Dr. Helge B. Bode 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(26):e202103963
Bacterial natural products in general, and non-ribosomally synthesized peptides in particular, are structurally diverse and provide us with a broad range of pharmaceutically relevant bioactivities. Yet, traditional natural product research suffers from rediscovering the same scaffolds and has been stigmatized as inefficient, time-, labour- and cost-intensive. Combinatorial chemistry, on the other hand, can produce new molecules in greater numbers, cheaper and in less time than traditional natural product discovery, but also fails to meet current medical needs due to the limited biologically relevant chemical space that can be addressed. Consequently, methods for the high throughput generation of new natural products would offer a new approach to identifying novel bioactive chemical entities for the hit to lead phase of drug discovery programs. As a follow-up to our previously published proof-of-principle study on generating bipartite type S non-ribosomal peptide synthetases (NRPSs), we now envisaged the de novo generation of non-ribosomal peptides (NRPs) on an unreached scale. Using synthetic zippers, we split NRPSs in up to three subunits and rapidly generated different bi- and tripartite NRPS libraries to produce 49 peptides, peptide derivatives, and de novo peptides at good titres up to 145 mg L−1. A further advantage of type S NRPSs not only is the possibility to easily expand the created libraries by re-using previously created type S NRPS, but that functions of individual domains as well as domain-domain interactions can be studied and assigned rapidly. 相似文献
45.
Candida Manelfi Jonas Gossen Silvia Gervasoni Carmine Talarico Simone Albani Benjamin Joseph Philipp Francesco Musiani Giulio Vistoli Giulia Rossetti Andrea Rosario Beccari Alessandro Pedretti 《Molecules (Basel, Switzerland)》2021,26(4)
The 3CL-Protease appears to be a very promising medicinal target to develop anti-SARS-CoV-2 agents. The availability of resolved structures allows structure-based computational approaches to be carried out even though the lack of known inhibitors prevents a proper validation of the performed simulations. The innovative idea of the study is to exploit known inhibitors of SARS-CoV 3CL-Pro as a training set to perform and validate multiple virtual screening campaigns. Docking simulations using four different programs (Fred, Glide, LiGen, and PLANTS) were performed investigating the role of both multiple binding modes (by binding space) and multiple isomers/states (by developing the corresponding isomeric space). The computed docking scores were used to develop consensus models, which allow an in-depth comparison of the resulting performances. On average, the reached performances revealed the different sensitivity to isomeric differences and multiple binding modes between the four docking engines. In detail, Glide and LiGen are the tools that best benefit from isomeric and binding space, respectively, while Fred is the most insensitive program. The obtained results emphasize the fruitful role of combining various docking tools to optimize the predictive performances. Taken together, the performed simulations allowed the rational development of highly performing virtual screening workflows, which could be further optimized by considering different 3CL-Pro structures and, more importantly, by including true SARS-CoV-2 3CL-Pro inhibitors (as learning set) when available. 相似文献
46.
Martin Kellert Jan-Simon Jeshua Friedrichs Nadine Anke Ullrich Alexander Feinhals Jonas Tepper Peter Lnnecke Evamarie Hey-Hawkins 《Molecules (Basel, Switzerland)》2021,26(7)
The development of novel, tumor-selective and boron-rich compounds as potential agents for use in boron neutron capture therapy (BNCT) represents a very important field in cancer treatment by radiation therapy. Here, we report the design and synthesis of two promising compounds that combine meta-carborane, a water-soluble monosaccharide and a linking unit, namely glycine or ethylenediamine, for facile coupling with various tumor-selective biomolecules bearing a free amino or carboxylic acid group. In this work, coupling experiments with two selected biomolecules, a coumarin derivative and folic acid, were included. The task of every component in this approach was carefully chosen: the carborane moiety supplies ten boron atoms, which is a tenfold increase in boron content compared to the l-boronophenylalanine (l-BPA) presently used in BNCT; the sugar moiety compensates for the hydrophobic character of the carborane; the linking unit, depending on the chosen biomolecule, acts as the connection between the tumor-selective component and the boron-rich moiety; and the respective tumor-selective biomolecule provides the necessary selectivity. This approach makes it possible to develop a modular and feasible strategy for the synthesis of readily obtainable boron-rich agents with optimized properties for potential applications in BNCT. 相似文献
47.
Stefan Dix Paul Golz Jonas R. Schmid Prof. Dr. Sebastian Riedel Prof. Matthew N. Hopkinson 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(45):11554-11558
Trifluoromethoxylated (hetero)arenes are of great interest for several disciplines, especially in agro- and medicinal chemistry. Radical C−H trifluoromethoxylation of (hetero)arenes represents an attractive approach to prepare such compounds, but the high cost and low atom economy of existing . OCF3 radical sources make them unsuitable for the large-scale synthesis of trifluoromethoxylated building blocks. Herein, we introduce bis(trifluoromethyl)peroxide (BTMP, CF3OOCF3) as a practical and efficient trifluoromethoxylating reagent that is easily accessible from inexpensive bulk chemicals. Using either visible light photoredox or TEMPO catalysis, trifluoromethoxylated arenes could be prepared in good yields under mild conditions directly from unactivated aromatics. Moreover, TEMPO catalysis allowed for the one-step synthesis of valuable pyridine derivatives, which have been previously prepared via multi-step approaches. 相似文献
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The influence of hydrolyzable metal ions (Mn(II) and Ca(II)) adsorption on the surface chemistry, particle interactions, flocculation, and dewatering behavior of kaolinite dispersions has been investigated at pH 7.5 and 10.5. Metal ion adsorption was strongly cation type- and pH-dependent and significantly influenced the zeta potential, anionic polyacrylamide-acrylate flocculant (PAM) adsorption, shear yield stress, settling rate, and consolidation of kaolinite slurries. The presence of Mn(II) and Ca(II) ions alone led to a systematic reduction in zeta potential due to specific adsorption of positively charged metal ion-based hydrolysis products at the kaolinite-water interface. Metal ion-mediated zeta potential changes were reflected by lower dispersion shear yield stresses and improved clarification (higher settling rates) but had no detectable effect on dispersion consolidation. The adsorption of PAM was significantly improved by prior addition of the metal ions. In the presence of Mn(II) or Ca(II) ions, the flocculant adsorption density was enhanced at pH 7.5 for Mn(II) and pH 10.5 for Ca(II). Optimum flocculation conditions, involving partial rather than complete particle surface coverage by both metal ions and flocculant, were identified. As a consequence, the metal ions and flocculant acted synergistically to enhance dewatering, producing particle interactions that were more conducive to high settling rates and greater consolidation of kaolinite dispersions at pH 7.5 than 10.5. 相似文献