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Editor-in-Chief: Natalia Ortúzar

Impact Factor: 2.968

ISI Journal Citation Reports © Ranking: 2014: 19/59 (Chemistry Medicinal); 83/254 (Pharmacology & Pharmacy)

Online ISSN: 1860-7187

Associated Title(s): Angewandte Chemie International Edition, Chemistry - A European Journal, Chemistry – An Asian Journal, ChemBioChem, Medicinal Research Reviews, Molecular Informatics

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October 03, 2015

VIP: Small-Molecule T. brucei NMT Inhibitors

VIP: Small-Molecule T. brucei NMT InhibitorsHuman African trypanosomiasis (sleeping sickness) is endemic in sub-Saharan Africa. There are very few well-validated drug targets in the parasite Trypanosoma brucei, which causes the illness. Research groups from the University of Dundee (UK) played a substantial part in the validation of the enzyme N-myristoyltransferase (NMT) as a drug target in the parasite. Read more...

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  1. Synthetic and Biological Studies of Sesquiterpene Polygodial: Activity of 9-Epipolygodial against Drug-Resistant Cancer Cells

    Dr. Ramesh Dasari, Annelise De Carvalho, Derek C. Medellin, Kelsey N. Middleton, Dr. Frédéric Hague, Marie N. M. Volmar, Prof. Liliya V. Frolova, Dr. Mateus F. Rossato, Jorge J. De La Chapa, Nicholas F. Dybdal-Hargreaves, Akshita Pillai, Prof. Véronique Mathieu, Prof. Snezna Rogelj, Prof. Cara B. Gonzales, Prof. João B. Calixto, Prof. Antonio Evidente, Dr. Mathieu Gautier, Dr. Gnanasekar Munirathinam, Prof. Rainer Glass, Prof. Patricia Burth, Dr. Stephen C. Pelly, Prof. Willem A. L. van Otterlo, Prof. Robert Kiss and Prof. Alexander Kornienko

    Article first published online: 5 OCT 2015 | DOI: 10.1002/cmdc.201500360

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    Inverting one stereocenter turns the inactive sesquiterpenoid polygodial into a potent anticancer agent with promising activity against drug-resistant cancer cells. Polygodial and 9-epipolygodial undergo a Paal–Knorr reaction with electron-deficient primary amines to form a stable pyrrole derivative, a process of possible biological relevance. These studies reveal rich chemical and biological properties associated with polygodial and its direct derivatives.

  2. Aryl Bis-Sulfonamide Inhibitors of IspF from Arabidopsis thaliana and Plasmodium falciparum

    Jonas Thelemann, Dr. Boris Illarionov, Dr. Konstantin Barylyuk, Dr. Julie Geist, Prof. Dr. Johannes Kirchmair, Dr. Petra Schneider, Lucile Anthore, Katharina Root, Dr. Nils Trapp, Prof. Dr. Adelbert Bacher, Dr. Matthias Witschel, Prof. Dr. Renato Zenobi, Prof. Dr. Markus Fischer, Prof. Dr. Gisbert Schneider and Prof. Dr. François Diederich

    Article first published online: 5 OCT 2015 | DOI: 10.1002/cmdc.201500382

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    High-throughput screening identified a symmetrical aryl bis-sulfonamide inhibitor of the enzyme IspF from the non-mevalonate pathway for isoprenoid biosynthesis. Further derivatization afforded active ligands with IC50 values of 240 nM against Arabidopsis thaliana IspF and 1.4 μM against Plasmodium falciparum IspF. Activity against IspF was measured by photometric, HPLC, ITC, and ESI-MS methods. A binding mode in accordance with the structure–activity relationship was proposed based on docking studies.

  3. Design, Synthesis and in vitro Evaluation of Indolotacrine Analogues as Multitarget-Directed Ligands for the Treatment of Alzheimer’s Disease

    Ondrej Benek, Dr. Ondrej Soukup, Marketa Pasdiorova, Lukas Hroch, Dr. Vendula Sepsova, Petr Jost, Martina Hrabinova, Dr. Daniel Jun, Prof. Kamil Kuca, Dominykas Zala, Dr. Rona R. Ramsay, Prof. José Marco-Contelles and Dr. Kamil Musilek

    Article first published online: 2 OCT 2015 | DOI: 10.1002/cmdc.201500383

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    MAO meets ChE! By using a multitarget-directed ligand approach, a series of novel compounds were designed to act simultaneously as cholinesterase (ChE) and monoamine oxidase (MAO) inhibitors. The most promising compound, indolotacrine 9 b, was found to be a potent inhibitor of both cholinesterases and MAO A and a moderately potent inhibitor of MAO B.

  4. Concepts and Molecular Aspects in the Polypharmacology of PARP-1 Inhibitors

    Dr. Daniela Passeri, Prof. Emidio Camaioni, Dr. Paride Liscio, Dr. Paola Sabbatini, Dr. Martina Ferri, Dr. Andrea Carotti, Dr. Nicola Giacchè, Prof. Roberto Pellicciari, Prof. Antimo Gioiello and Prof. Antonio Macchiarulo

    Article first published online: 1 OCT 2015 | DOI: 10.1002/cmdc.201500391

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    Right on PAR: The increased understanding of molecular aspects in the polypharmacology of PARP-1 inhibitors is driving the development of these compounds toward novel cancer therapies. It provides an explanation for the varied sensitivity or resistance of cancer cells toward certain compounds, and clues as to why some drug candidates work better than others in clinical settings. Herein we provide an overview of the distinct levels of the polypharmacology of PARP-1 inhibitors, including inter-family, intra-family, and multi-signaling polypharmacology.

  5. 6-Methyluracil Derivatives as Bifunctional Acetylcholinesterase Inhibitors for the Treatment of Alzheimer’s Disease

    Dr. Vyacheslav E. Semenov, Irina V. Zueva, Dr. Marat A. Mukhamedyarov, Dr. Sofya V. Lushchekina, Dr. Alexandra D. Kharlamova, Elena O. Petukhova, Dr. Anatoly S. Mikhailov, Dr. Sergey N. Podyachev, Dr. Lilya F. Saifina, Dr. Konstantin A. Petrov, Oksana A. Minnekhanova, Prof. Vladimir V. Zobov, Prof. Evgeny E. Nikolsky, Prof. Patrick Masson and Prof. Vladimir S. Reznik

    Article first published online: 28 SEP 2015 | DOI: 10.1002/cmdc.201500334

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    Head-AChE relief! In our efforts to identify compounds to treat Alzheimer′s disease, we found that 1,3-bis[ω-(substituted benzylethylamino)alkyl]-6-methyluracils bind to the active site gorge and peripheral anionic site of acetylcholinesterase (AChE). These compounds can cross the blood–brain barrier, and decrease the number and area of β-amyloid plaques in the brain.