Mois : décembre 2019

Continuous Flow Enables Metallaphotoredox Catalysis in a Medicinal Chemistry Setting: Accelerated Optimization and Library Execution of a Reductive Coupling between Benzylic Chlorides and Aryl Bromides

Merck
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  • Z.G. Brill, C.B. Ritts, U.F. Mansoor, and N. Sciammetta, "Continuous Flow Enables Metallaphotoredox Catalysis in a Medicinal Chemistry Setting: Accelerated Optimization and Library Execution of a Reductive Coupling between Benzylic Chlorides and Aryl Bromides", Organic Letters, vol. 22, pp. 410-416, 2019. http://dx.doi.org/10.1021/acs.orglett.9b04117
  • Heterobifunctional Molecules Induce Dephosphorylation of Kinases–A Proof of Concept Study

    Genentech – Pharmaron
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  • S. Yamazoe, J. Tom, Y. Fu, W. Wu, L. Zeng, C. Sun, Q. Liu, J. Lin, K. Lin, W.J. Fairbrother, and S.T. Staben, "Heterobifunctional Molecules Induce Dephosphorylation of Kinases–A Proof of Concept Study", Journal of Medicinal Chemistry, vol. 63, pp. 2807-2813, 2019. http://dx.doi.org/10.1021/acs.jmedchem.9b01167
  • Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases

    [1]

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  • L. Pang, M. Nautiyal, S. De Graef, B. Gadakh, V. Zorzini, A. Economou, S.V. Strelkov, A. Van Aerschot, and S.D. Weeks, "Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases", ACS Chemical Biology, vol. 15, pp. 407-415, 2019. http://dx.doi.org/10.1021/acschembio.9b00887
  • Discovery of BAY-985, a Highly Selective TBK1/IKKe Inhibitor

    [1]

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  • J. Lefranc, V.K. Schulze, R.C. Hillig, H. Briem, F. Prinz, A. Mengel, T. Heinrich, J. Balint, S. Rengachari, H. Irlbacher, D. Stöckigt, U. Bömer, B. Bader, S.N. Gradl, C.F. Nising, F. von Nussbaum, D. Mumberg, D. Panne, and A.M. Wengner, "Discovery of BAY-985, a Highly Selective TBK1/IKKε Inhibitor", Journal of Medicinal Chemistry, vol. 63, pp. 601-612, 2019. http://dx.doi.org/10.1021/acs.jmedchem.9b01460
  • Identification of Selective Inhibitors of Plasmodium N-Myristoyltransferase by High-Throughput Screening

    [1]

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  • A. Harupa, L. De Las Heras, G. Colmenarejo, S. Lyons-Abbott, A. Reers, I. Caballero Hernandez, C. Chung, D. Charter, P.J. Myler, R.M. Fernández-Menéndez, F. Calderón, S. Palomo, B. Rodríguez, M. Berlanga, E. Herreros-Avilés, B.L. Staker, E. Fernández Álvaro, and A. Kaushansky, "Identification of Selective Inhibitors of Plasmodium N-Myristoyltransferase by High-Throughput Screening", Journal of Medicinal Chemistry, vol. 63, pp. 591-600, 2019. http://dx.doi.org/10.1021/acs.jmedchem.9b01343
  • The 3 most common types of kinase inhibitors

    The three most common classes of kinase inhibitors are Type I, Type I.5, and Type II. In a Guest Post, Cyril Bucher has a nice graphic summarizing illustrating these, and highlights an excellent recent paper by Filip Miljković, Raquel Rodríguez Pérez, and Jurgen Bajorath describing machine-learning approaches for computationally predicting inhibitor binding modes.


    https://drug-hunter.com/2019/12/15/kinase-inhibitor-types-predicted-with-machine-learning/

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    Dual Photoredox/Nickel-Catalyzed Conversion of Aryl Halides to Aryl Aminooxetanes: Computational Evidence for a Substrate-Dependent Switch in Mechanism

    [1]

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  • K. Kolahdouzan, R. Khalaf, J.M. Grandner, Y. Chen, J.A. Terrett, and M.P. Huestis, "Dual Photoredox/Nickel-Catalyzed Conversion of Aryl Halides to Aryl Aminooxetanes: Computational Evidence for a Substrate-Dependent Switch in Mechanism", ACS Catalysis, vol. 10, pp. 405-411, 2019. http://dx.doi.org/10.1021/acscatal.9b03596
  • Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-ß-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections

    [1]

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  • B. Liu, R.E.L. Trout, G. Chu, D. McGarry, R.W. Jackson, J.C. Hamrick, D.M. Daigle, S.M. Cusick, C. Pozzi, F. De Luca, M. Benvenuti, S. Mangani, J. Docquier, W.J. Weiss, D.C. Pevear, L. Xerri, and C.J. Burns, "Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-β-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections", Journal of Medicinal Chemistry, vol. 63, pp. 2789-2801, 2019. http://dx.doi.org/10.1021/acs.jmedchem.9b01518