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2015-14: Bioorthogonal Enzymatic Activation of Caged Compounds
C. Ritter, N. Nett, C. G. Acevedo-Rocha, R. Lonsdale, K. Kräling, F. Dempwolff, S. Hoebenreich, P. L. Graumann, M. T. Reetz, E. Meggers, Angew. Chem. Int. Ed. 2015, 54, 13440-13443.


2015-13: Aerobic Asymmetric Dehydrogenative Cross-Coupling between two Csp3-H Groups Catalyzed by a Chiral-at-Metal Rhodium Complex
Y. Tan, W. Yuan, L. Gong, E. Meggers, Angew. Chem. Int. Ed. 2015, 54, 13045-13048.


2015-12: Enantioselective, catalytic trichloromethylation through visible-light-activated photoredox catalysis with a chiral iridium complex
H. Huo, C. Wang, K. Harms, E. Meggers, J. Am. Chem. Soc. 2015, 137, 9551-9556.


2015-11: Asymmetric Friedel-Crafts Alkylation of Indoles with 2-Nitro-3-Arylacrylates Catalyzed by a Metal-Templated Hydrogen Bonding Catalyst
J. Liu, L. Gong, E. Meggers, Tetrahedron Lett. 2015, 56, 4653-4656.

2015-10: Octahedral chiral-at-metal iridium catalysts: versatile chiral Lewis acids for asymmetric conjugate additions
X. Shen, H. Huo, C. Wang, B. Zhang, K. Harms, E. Meggers, Chem. Eur. J. 2015, 21, 9720-9726.

2015-9: Merger of visible light induced oxidation and enantioselective alkylation with chiral iridium catalyst
C. Wang, Y. Zheng, H. Huo, P. Röse, L. Zhang, K. Harms, G. Hilt, E. Meggers, Chem. Eur. J. 2015, 21, 7355-7359.


2015-8: Asymmetric aza-Henry reaction to provide oxindole with quaternary carbon stereocenter catalyzed by a metal-templated chiral Brønsted base
Y. Hu, Z. Zhou, L. Gong, E. Meggers, Org. Chem. Frontiers 2015, 2, 968-972.

2015-7: Enantioselective sulfa-Michael addition to alpha,beta-unsaturated gamma-oxoesters by a metal-templated chiral Brønsted base
X. Ding, H. Lin, L. Gong, E. Meggers, Asian J. Org. Chem. 2015, 4, 434-437.

2015-6: Probing chiral recognition of enzyme active sites with octahedral iridium(III) propeller complexes
P. Göbel, F. Ritterbusch, M. Helms, M. Bischof, K. Harms, M. Jung, E. Meggers, Eur. J. Inorg. Chem. 2015, 1654-1659.

2015-5: Asymmetric catalysis activated by visible light
E. Meggers, Chem. Commun. 2015, 51, 3290-3301.

2015-4: Octahedral rhodium(III) complexes as kinase inhibitors: Control of relative stereochemistry with acyclic tridentate ligands
S. Mollin, R. Riedel, K. Harms, E. Meggers, J. Inorg. Biochem. 2015, published online.

2015-3: Transition-metal-mediated uncaging in living human cells - an emerging alternative to photolabile protecting groups
T. Völker and E. Meggers, Curr. Opin. Chem. Biol. 2015, 25, 48-54.

2015-2: Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality
C. Wang, L.-A. Chen, H. Huo, X. Shen, K. Harms, L. Gong, E. Meggers, Chemical Science 2015, 5, 1093-1100.
2015-1: Development of Organometallic S6K1 Inhibitors
J. Qin, R. Rajaratnam, L. Feng, J. Salami, J. S. Barber-Rotenberg, J. Domsic, P. Reyes-Uribe, H. Liu, D. Dang, S. L. Berger, J. Villanueva, E. Meggers, R. Marmorstein, J. Med. Chem. 2015, 58, 305-314.



2014-12: Metal-templated enantioselective enamine/H-bonding dual activation catalysis

H. Huo, C. Fu, C. Wang, K. Harms, E. Meggers, Chem. Commun. 2014, 50, 10409-10411

2014-11: Novel Metal-Coordinated 1,10-Phenanthroline Ligands Functionalized with a Lactam or Imide

E. K. Martin, N. Pagano, M. E. Sherlock, K. Harms, E. Meggers, Inorg. Chimica Acta 2014, 423, 530-539


2014-10: Novel Metal-Coordinated 1,10-Phenanthroline Ligands Functionalized with a Lactam or Imide

H. Yao, L. Zhang,  Y. Peng, P. J. Carroll, L. Gong, E. Meggers, Inorg. Chimica Acta 2014, 421, 489-495


2014-9: Metal-Templated Chiral Brønsted Base Organocatalysis

J. Ma, X. Ding, Y. Hu, Y. Huang, L. Gong, E. Meggers, Nature Communications 2014, 5, 5531


2014-8: Progress Towards Bioorthogonal Catalysis with Organometallics

T. Völker, F. Dempwolff, P. L. Graumann, E. Meggers, Angew. Chem. Int. Ed. 2014, 53, 10536-10540


2014-7: Asymmetric Catalysis Mediated by the Ligand Sphere of Octahedral Chiral-at-Metal Complexes

L. Gong, L.-A. Chen, E. Meggers, Angew. Chem. Int. Ed. 2014, 53, 10868-10874


2014-6: Synthesis and Functionalization of Hexacoordinate (Arenediolato)bis(polypyridyl)silicon(IV) Complexes

T. Breiding, J. Henker, C. Fu, Y. Xiang, S. Glöckner, P. Hofmann, K. Harms, E. Meggers, Eur. J. Inorg. Chem. 2014, 2924-2933


2014-5: DNA Mismatch Recognition by a Hexacoordinate Silicon - Sandwich Ruthenium Hybrid Complex

C. Fu, K. Harms, L. Zhang, E. Meggers, Organometallics 2014, 33, 3219-3222


2014-4: Asymmetric Catalysis with Substitutionally Labile yet Stereochemically Stable Chiral-only-at-Metal Iridium(III) Complex

H. Huo, C. Fu, K. Harms, E. Meggers, J. Am. Chem. Soc. 2014, 136, 2990-2993


2014-3: Metal Complexes as Structural Templates for Targeting Proteins

M. Dörr, E. Meggers, Curr. Opin. Chem. Biol. 2014, 19, 76-81


2014-2: Rhenium Complexes with Red-Light-Induced Anticancer Activity

K. Wähler, A. Ludewig, P. Szabo, K. Harms, E. Meggers, Eur. J. Inorg. Chem. 2014, 807-811


2014-1: Organometallic Inhibitor for the Human Repair Enzyme 7,8-Dihydro-8-Oxoguanosine Triphosphatase

M. Streib, K. Kräling, K. Richter, X. Xie, H. Steuber, E. Meggers, Angew. Chem. Int. Ed. 2014, 53, 305-309



organometallics2013small2013-13: Reductive Labilization of a Cyclometalating Ligand Applied to Auxiliary-Mediated Asymmetric Coordination Chemistry

M. Kraack, K. Harms, E. Meggers, Organometallics 2013, 32, 5103-5113

abstract: (S)-4-Isopropyl-2-(3-nitrophenyl)-4,5-dihydrooxazole is introduced as a novel chiral auxiliary for the asymmetric synthesis of ruthenium polypyridyl complexes. It is based on a reductive labilization of the cyclometalating chiral auxiliary.

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2013-12: Chiral-at-Metal Octahedral Iridium Catalyst for the Asymmetric Construction of an All-Carbon Quaternary Stereocenter

L.-A. Chen, X. Tang, J. Xi, W. Xu, L. Gong, E. Meggers, Angew. Chem. Int. Ed. 2013, 52, 14021-14025

abstract: Metal-templated organocatalysis! We here reported an inert iridium-based catalyst which draws its chirality exclusively from an octahedral stereocenter and highly efficiently catalyzes the challenging construction of a stereogenic all-carbon quaternary stereocenter by merely forming three hydrogen bonds. Beyond demonstrating the scope of hydrogen bonding catalysis, this work reveals the power of inert metal complexes as templates for asymmetric organocatalysis.

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2013-11: Continuous Synthesis of Pyridocarbazoles and Initial Photophysical and Bioprobe Characterization

D. T. McQuade, A. G. O'Brien, M. Dörr, R. Rajaratnam, U. Eisold, B. Monnanda, T. Nobuta, H.-G. Löhmannsröben, E. Meggers, P. H. Seeberger, Chem. Sci. 2013, 4067-4070

abstract: We demonstrate here that a flow-based Mallory cyclization provides an excellent access to pyridocarbazole heterocycles. The flow method allowed us to rapidly synthesize ten pyridocarbazoles and for the first time to document their interesting photophysical attributes. Preliminary characterization reveals that these molecules might be a new class of fluorescent bioprobe.

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2013-10: Strain-Promoted Azide-Alkyne Cycloaddition with Ruthenium(II) Azido Complexes

T. Cruchter, K. Harms, E. Meggers, Chem. Eur. J. 2013, 19, 16682-16689

abstract: We report that cycloadditions between an exemplary ruthenium(II) azido complex and strained cyclooctynes readily occur under ambient conditions, which demonstrates that the concept of strain-promoted azide-alkyne cycloaddition (SPAAC) is not limited to organic azides but also readily applicable to transition metal-coordinated azides.

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2013-9: Non-ATP-Mimetic Organometallic Protein Kinase Inhibitor

K. Wähler, K. Kräling, E. Meggers, ChemistryOPEN 2013, 2, 180-185

abstract: A novel organometallic protein kinase inhibitor scaffold based on a cyclometalated 1,8-phenanthrolin-7(8H)-one ligand is reported, which binds to the ATP binding site of the protein kinase Pim1 in an unexpected, unusual non-ATP-mimetic fashion without mimicking the hydrogen-bonding interaction of the adenine nucleobase of ATP.

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2013-8: Chiral Enol Oxazolines and Thiazolines as Auxiliary Ligands for the Asymmetric Synthesis of Ruthenium-Polypyridyl Complexes

B. Huang, L. Wang, L. Gong, E. Meggers, Chem. Asian J. 2013, 8, 2274-2280

abstract: Enoloxazolines are introduced as chiral auxiliaries for the synthesis of non-racemic ruthenium polypyridyl complexes which provide now options for the removal of the metal-coordinated auxiliaries (weak acid, peroxy acids and ozonolysis).

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2013-7: Nonfitting Protein-Ligand Interaction Scoring Function Based on First-Principles Theoretical Chemistry Methods: Development and Application on Kinase Inhibitors

L. Rao, Y. Zhang, W. Guo, L. Feng, E. Meggers, X. Xu, J. Comput. Chem. 2013, 34, 1636-1646

abstract: Nonfitting score function for the in-silico investigation of protein-ligand interactions (Xu group). Suitable for screening libaries of ligand derivatives for hit-to-lead development as demonstrated for the interaction of ruthenium complexes with the ATP-binding site of PAK1.

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jacs2013toc2013-6: Asymmetric Catalysis with Inert Chiral-At-Metal Iridium Complex

L.-A. Chen, W. Xu, B. Huang, J. Ma, L. Wang, J. Xi, K. Harms, L. Gong, E. Meggers, J. Am. Chem. Soc. 2013, 135, 10598-10601

abstract: The development of a chiral-at-metal iridium(III) complex for the highly efficient catalytic asymmetric transfer hydrogenation of beta, beta’-disubstituted nitroalkenes is reported. Catalysis by this inert, rigid metal complex does not involve any direct metal coordination but operates exclusively through cooperative, weak interactions with functional groups properly arranged in the ligand sphere of the iridium complex. Although the iridium complex only relies on the formation of three hydrogen bonds, it exceeds the performance of most organocatalysts with respect to enantiomeric excess (up to 99% ee) and catalyst loading (down to 0.1 mol%). This work hints towards an advantage of structurally complicated, rigid scaffolds for non-covalent catalysis which especially relies on conformationally constrained, cooperative interactions between catalyst and substrates.

Cover Picture and featured in JACS Spotlights

eurjic2013toc2013-5: Method for the Preparation of Non-Racemic Bis-Cyclometalated Iridium(III) Complexes

M. Helms, Z. Lin, L. Gong, K. Harms, E. Meggers, Eur. J. Inorg. Chem. 2013, 4164-4172

abstract: A straightforward method for the synthesis of virtually enantiomerically pure ruthenium(II) polypyridyl complexes [Ru(pp)(pp’)(pp’’)](PF6)2, pp = bidentate polypyridyl has been developed. The synthesis draws from the readily available racemic starting material cis-[Ru(pp)(pp’)Cl2] and the natural amino acids L- or D-proline and relies on a dynamic asymmetric transformation under thermodynamic control.


chemmedchem2013toc2013-4: Rhenium Complexes with Visible-Light-Induced Anticancer Activity

A. Kastl, S. Dieckmann, K. Wähler, T. Völker, L. Kastl, A. L. Merkel, a. Vultur, B. Shannan, K. Harms, M. Ocker, W. Parak, M. Herlyn, E. Meggers, ChemMedChem 2013, 8, 924-927

abstract: This publication introduces a new class of potent visible-light-triggered anticancer organometallics based on rhenium(I) indolato complexes. This is unexpected since related rhenium(I) tricarbonyl polypyridyl complexes are well established nontoxic luminescence probles routinely applied for biological imaging.

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account2013toc2013-3: Chiral-Auxiliary-Mediated Asymmetric Synthesis of Ruthenium Polypyridyl Complexes

L. Gong, M. Wenzel, E. Meggers, Acc. Chem. Res. 2013, 46, 2635-2644

abstract: A few years ago our laboratory embarked on a project exploring new and general synthetic strategies for the asymmetric synthesis of inert octahedral transition metal complexes by initially using the example of thermally inert ruthenium polypyridyl complexes. As a result of these efforts, we developed a family of chiral bidentate ligands, including salicyloxazolines, (mercaptophenyl)oxazolines, sulfinylphenols, N-acetylsulfinamides, a phosphinohydroxybinaphthyl, and even the amino acid proline to serve as chiral auxiliaries for asymmetric coordination chemistry. The applications of these auxiliaries for the asymmetric synthesis of non-racemic ruthenium(II) polypyridyl complexes is discussed.

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dalton2013graphics2013-2: Thioether-Based Anchimeric Assistance for Asymmetric Coordination Chemistry with Ruthenium(II) and Osium(II)

L.-A. Chen, X. Ding, L. Gong, E. Meggers, Dalton Trans. 2013, 42, 5623-5626

abstract: (R)-4-(Alkylthiomethyl)-5,5-dimethyl-2-(2’-hydroxyphenyl)-2-oxazolines are demonstrated to be highly suitable chiral auxiliaries for the two-step conversion of the half-sandwich complex [Ru(C6H6)(bpy)Cl]Cl, bpy = 2,2’-bipyridine, into delta-configured ruthenium polypyridyl complexes. The tailored thioether substituent at the oxazoline ring is essential for this conversion and not only promotes the removal of the benzene moiety but also controls the absolute metal-centered configuration. Applied to osmium, this strategy resulted in the first highly asymmetric synthesis of delta-[Os(bpy)3](PF6)2.

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2013-1: Metal Complex Catalysis in Biological Systems

P. K. Sasmal, C. N. Streu, E. Meggers, Chem. Commun. 2013, 49, 1581-1587

abstract: This Feature article discusses synthetic metal complexes that are capable of catalyzing chemical transformations in living organisms. Over the last few years, significant progress has been made towards the application of non-biological reactions in living systems, ranging from the organoruthenium-catalyzed cleavage of allylcarbamates and a gold-catalyzed intramolecular hydroarylation to palladium-catalyzed Suzuki-Miyaura and Sonogashira cross-couplings within the cytoplasm or on the surface of living cells. The design of bioorthogonal catalyst/substrate pairs, which can passively diffuse into cells, combines the advantages of small molecules with catalysis and promises to provide exciting new tools for future chemical biology studies.

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ic2012prolinetoc2012-14: Proline as Chiral Auxiliary for the Economical Asymmetric Synthesis of Ruthenium(II) Polypyridyl Complexes

C. Fu, M. Wenzel, E. Treutlein, K. Harms, E. Meggers, Inorg. Chem. 2012, 51, 10004-10011

abstract: A straightforward method for the synthesis of virtually enantiomerically pure ruthenium(II) polypyridyl complexes [Ru(pp)(pp’)(pp’’)](PF6)2, pp = bidentate polypyridyl has been developed. The synthesis draws from the readily available racemic starting material cis-[Ru(pp)(pp’)Cl2] and the natural amino acids L- or D-proline and relies on a dynamic asymmetric transformation under thermodynamic control.

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chemasianj2012toc2012-13: Passive Substituent Participation in the Auxiliary-Mediated Asymmetric Synthesis of an Octahedral Metal Complex

L.-A. Chen, J. Ma, M. A. Celik, H.-L. Yu, Z. Cao, G. Frenking, L. Gong, E. Meggers, Chem. Asian J. 2012, 7, 2523-2526

abstract: We here report a surprising sulfur-effect for the chirality transfer from carbon to metal, most likely relying on the active participation of a transiently coordinating thioether substituent, causing a reversal of the stereochemical outcome compared to the commonly applied passive steric control of chiral substituents.

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austjchem2012toc2012-12: Sixty Years Young: The Diverse Biological Activities of Metal Polypyridyl Complexes Pioneered by Francis P. Dwyer

N. L. Kilah, E. Meggers, Aust. J. Chem. 2012, 65, 1325-1332

abstract: Sixty years ago, the Australian chemist Francis P. Dwyer pioneered the use of ruthenium polypyridyl complexes as biologically active compounds. This review commemorates the sixtieth anniversary of Dwyer and co-workers’ landmark 1952 publication, summarises their broader achievements in biological inorganic chemistry, and discusses the contribution of this work to the development of modern biological and medicinal inorganic chemistry.

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2012-11: GSK3-beta Inhibition Blocks Melanoma Cell/Host Interaction by Downregulating N-Cadherin Expression and Decreasing FAK Phosphorylation

J. K. John, K. H. T. Paraiso, V. W. Rebecca, L. P. Cantini, E. V. Abel, N. Pagano, E. Meggers, R. Mathew, C. Krepler, V. Izumi, B. Fang, J. M. Koomen, J. L. Messina, M. Herlyn, K. S. M. Smalley, J. Investigative Dermatology 2012, published online

abstract: This study addresses the role of glycogen synthase-3 kinase (GSK3) signaling in the adhesive and migratory behavior of melanoma cells using the organometallic GSK3 inhibitor NP309 as a tool.

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daltonphthalimide20122012-10: Bioactive Cyclometalated Phthalimides: Design, Synthesis and Kinase Inhibition

S. Blanck, Y. Geisselbrecht, K. Kräling, S. Middel, T. Mietke, K. Harms, L.-O. Essen, E. Meggers, Dalton Transactions 2012, 41, 9337-9348

abstract: The regioselective cyclometalation of 4-(pyridin-2-yl)phthalimide was exploited for the economical design of organometallic protein kinase inhibitors. The versatility of this new ligand was demonstrated with the synthesis of ruthenium(II) half-sandwich as well as octahedral ruthenium(II) and iridium(III) complexes. A cocrystal structure of one metallo-phthalimide with the protein kinase Pim1 confirmed an ATP-competitive binding with the intended hydrogen bonding between the phthalimide moiety and the hinge region of the ATP-binding site.

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2012-9: PIM1 Kinase as a Target for Cancer Therapy

A. L. Merkel, E. Meggers, M. Ocker, Expert Opin. Investig. Drugs 2012, 21, 425-436

abstract: A review. Inhibition of protein kinases has become a standard of modern clinical oncology. PIM1 is overexpressed in human cancer diseases and has been associated with metastasis and overall treatment response. We here review the biologic functions of PIM1, its role in human cancer diseases, present the current state of the art of PIM1 inhibitor design and highlight the development of the unusual class of highly selective and potent organometallic PIM1 inhibitors which great promise as novel anticancer agents.

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si20122012-8: Hydrolytically Stable Octahedral Silicon Complexes as Bioactive Scaffolds: Application to the Design of DNA Intercalators

Y. Xiang, C. Fu, T. Breiding, P. K. Sasmal, H. Liu, Q. Shen, K. Harms, L. Zhang, E. Meggers, Chem. Commun. 2012, 48, 7131-7133

abstract: We here introduce octahedral silicon serving as a structural center for the design of hydrolytically stable bioactive complexes as demonstrated with the generation of silicon-based high affinity DNA binders. This proof-of-principle study suggests that octahedral silicon complexes are falsely neglected, promising structural templates for widespread applications in chemical biology and medicinal chemistry.

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quinoline2012bmp2012-7: Cyclometalated Phenylquinoline Rhodium Complexes as Protein Kinase Inhibitors

S. Mollin, S. Blanck, K. Harms, E. Meggers, Inorg. Chim. Acta 2012, published online

abstract: A new metal-containing scaffold for the generation of rhodium(III)-based protein kinase inhibitors is introduced in which the pharmacophore ligand 4-phenylpyrrolo[3,4-c]quinoline-1,3(2H)-dione is designed to form two hydrogen bonds with the hinge region of the ATP-binding site. The phenylquinoline ligand binds to rhodium(III) in a cyclometalated fashion by coordinating to the quinoline nitrogen and forming a covalent bond to a carbon atom of the phenyl substituent.

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rulight2012bmp2012-6: Light-Triggered Ruthenium-Catalyzed Allylcarbamate Cleavage in Biological Environments

P. K. Sasmal, S. Carregal-Romero, W. J. Parak, E. Meggers, Organometallics 2012, 31, 5968-5970

abstract: The sandwich complex [Cp*Ru(pyrene)]PF6 serves as a photoactivatable catalyst for the conversion of N-allylcarbamates into their amines in the presence of thiophenol under biorelevant conditions (water, air, plus aliphatic thiols) and even in mammalian cells.  

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2012-5: Chiral 2-Mercaptophenyloxazolines as Auxiliaries for Asymmetric Coordination Chemistry

M. Wenzel, E. Meggers, Eur. J. Inorg. Chem. 2012, 3168-3175

abstract: Mercaptophenyloxazolines were used as chiral auxiliaries for the asymmetric synthesis of polypyridyl ruthenium complexes. Key step was the conversion of a coordinated thiolate into a labilized thioether upon methylation with Meerwein salt, followed by a thermal substitution with an achiral ligand under retention of configuration.

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azide20122012-4: Catalytic Azide Reduction in Biological Environments

P. K. Sasmal, S. Carregal-Romero, C. N. Streu, Z. Lin, K. Namikawa, S. L. Elliott, R. W. Köster, W. J. Parak, E. Meggers, ChemBioChem 2012, 13, 1116-1120

abstract: In the quest for the identification of catalytic transformations to be used in Chemical Biology and Medicinal Chemistry, we identified iron(III) meso-tetraarylporphines as efficients catalysts for the reduction of aromatic azides to their amines. The reaction uses thiols as the reducing agent and tolerates water, air, and other biological components.

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2012-3: About the Art of Filling Protein Pockets Efficiently with Octahedral Metal Complexes

S. Blanck, J. Maksimoska, J. Baumeister, K. Harms, R. Marmorstein, E. Meggers, Angew. Chem. Int. Ed. 2012, 51, 5244-5246

abstract: A very important aspect regarding the design of enzyme inhibitors based on octahedral metal complex scaffolds is the position of the metal within the active site. In this work, two different octahedral scaffolds are compared regarding their binding to the same protein pocket.

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eurjic2012tocagain2012-2: Rhodium(III)-Pyridocarbazole Complexes as Protein Kinase Inhibitors

S. Dieckmann, R. Riedel, K. Harms, E. Meggers, Eur. J. Inorg. Chem. 2012, 813-821

abstract: Whereas previous work from our laboratory was predominantly based on ruthenium(II), this study evaluates the suitability of rhodium in the oxidation state III to serve as a structural center for designing inert metal-based enzyme inhibitors. Based on our established staurosporine-inspired metallo-pyridocarbazole scaffold, strategies for the convenient synthesis of rhodium(III)-pyridocarbazole complexes were developed and applied to the synthesis of protein kinase inhibitors.

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chemcomm2012toc2012-1: Dual Anticancer Activity in a Single Compound: Visible Light-Induced Apoptosis by an Antiangiogenic Iridium Complex

A. Kastl, A. Wilbuer, A. L. Merkel, L. Feng, P. Di Fazio, M. Ocker, E. Meggers, Chem. Commun. 2012, 48, 1863-1865

abstract: A metal complex is identified in which the metal fulfills two independent functions: as a structural scaffold for the specific molecular recognition of protein kinases resulting in antiangiogenic properties, together with a visible-light-induced photoreactivity triggering apopotosis in cancer cells.

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chemeurj2011toc22011-11: N-Sulfinylcarboximidates as a Novel Class of Chiral Bidentate Ligands: Application to Asymmetric Coordination Chemistry

Z. Lin, M. A. Celik, C. Fu, K. Harms, G. Frenking, E. Meggers, Chem. Eur. J. 2011, 17, 12602-12605

abstract: We have discovered N-acetyl-tert-butanesulfinamide as a novel chiral bidentate ligand and applied it to the asymmetric synthesis of octahedral ruthenium polypyridyl complexes. This auxiliary is highly appealing due to its convenient accessibility from Ellman’s sulfinamide in a single step. To the best of our knowledge, the coordination of N-acetyl-tert-sulfinamide through the formation of a chelating N-sulfinylcarboximidate has not been reported before.

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joc2011toc2011-10: On the Structure and Dynamics of Duplex GNA

A. T. Johnson, M. K. Schlegel, E. Meggers, L.-O. Essen, O. Wiest, J. Org. Chem. 2011, 76, 7964-7974

abstract: A herein presented new crystal structure of a GNA duplex at 1.8 Å resolution from self-complementary 3’-CTCBrUAGAG-2’ GNA oligonucleotides reveals an N-type conformation with alternating gauche-anti torsions along its (O3'-C3'-C2'-O2') backbone. To elucidate the conformational state of dsGNA in solution, molecular dynamic simulations over a period of 20 ns were performed with the repertoire of now available structural information from the three crystal structures. Interestingly, dsGNA exists in solution as in conformational states intermediate between experimentally observed backbone conformations: simulated dsGNA shows the all-gauche conformation of the M-type GNA with the higher helical twist observed in N-type GNA structures.

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inorgchimacta2011toc2011-9: P-Donor Ligand Containing Ruthenium Half-Sandwich Complexes as Protein Kinase Inhibitors

C. Streu, L. Feng, P. J. Carroll, J. Maksimoska, R. Marmorstein, E. Meggers, Inorg. Chim. Acta 2011, 377, 34-41

abstract: Reported is the design, synthesis, and evaluation of protein kinase inhibition properties of pyridocarbazole half-sandwich complexes containing P-donor ligands. The nature of the monodentate P-donor ligand has a strong effect on protein kinase binding properties, most likely due to a direct interaction with the glycine-rich loop in the ATP-binding site.

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organometallics2011tocbmp2011-8: Organometallic Pyridylnaphthalimide Complexes as Protein Kinase Inhibitors

S. Blanck, T. Cruchter, A. Vultur, R. Riedel, K. Harms, M. Herlyn, E. Meggers, Organometallics 2011, 30, 4598-4606

abstract: A new metal-containing scaffold for the design of protein kinase inhibitors is introduced. Key feature is a 3-(2-pyridyl)-1,8-naphthalimide “pharmacophore chelate ligand” which is designed to form two hydrogen bonds with the hinge region of the ATP-binding site and is at the same time capable of serving as a stable bidentate ligand through C-H-activation at the 4-position of the electron-deficient naphthalene moiety. This C-H-activation leads to a reduced demand for coordinating heteroatoms and thus sets the basis for a very efficient three-step synthesis starting from 1,8-naphthalic anhydride. The versatility of this ligand is demonstrated with the discovery of a ruthenium complex that functions as a nanomolar inhibitor for myosin light-chain kinase.

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spencer2011toc2011-7: Size Does Matter. Sterically Demanding Metallocene-Substituted 3-Methylidene-Oxindoles Exhibit Poor Kinase Inhibitory Action

J. Spencer, J. Amin, P. Coxhead, J. McGeehan, C. J. Richards, G. J. Tizzard, S. J. Cole, J. P. Bingham, J. A. Hartley, L. Feng, E. Meggers, M. Guille, Organometallics 2011, 33, 3177-3181

abstract: Bulky oxindole-complexes have been synthesized and tested for anticancer activity and were found to be inactive against a range of kinase targets compared with their simpler, less bulky ferrocene analog. Space-filling models emphasize the dramatic difference in the metal complex bulk around the common oxindole unit, which leads us to conclude that the bulky environment may disfavor binding in the ATP pocket of kinases, including that of PAK1.

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eurjic2011coverpicture2011-6: Asymmetric Synthesis of Octahedral Coordination Complexes

E. Meggers, Eur. J. Inorg. Chem. 2011, 2911-2926