Mycobacterium tuberculosis shikimate kinase inhibitors: Design and simulation studies of the catalytic turnover

被引：0
|
作者：
机构：
[1] Blanco, Beatriz
[2] Prado, Verónica
[3] Lence, Emilio
[4] Otero, José M.
[5] Garcia-Doval, Carmela
[6] Van Raaij, Mark J.
[7] Llamas-Saiz, Antonio L.
[8] Lamb, Heather
[9] Hawkins, Alastair R.
[10] González-Bello, Concepción
来源：
González-Bello, C. (concepcion.gonzalez.bello@usc.es) | 1600年 / American Chemical Society卷 / 135期
关键词：
77;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [11] Identification of new potential Mycobacterium tuberculosis shikimate kinase inhibitors through molecular docking simulations
    Carolina Pasa Vianna
    Walter F. de Azevedo
    Journal of Molecular Modeling, 2012, 18 : 755 - 764
  • [12] Identification of new potential Mycobacterium tuberculosis shikimate kinase inhibitors through molecular docking simulations
    Vianna, Carolina Pasa
    de Azevedo, Walter F., Jr.
    JOURNAL OF MOLECULAR MODELING, 2012, 18 (02) : 755 - 764
  • [13] Effects of the magnesium and chloride ions and shikimate on the structure of shikimate kinase from Mycobacterium tuberculosis
    Bertacine Dias, Marcio Vinicius
    Faim, Livia Maria
    Vasconcelos, Igor Bordin
    de Oliveira, Jaim Simoes
    Basso, Luiz Augusto
    Santos, Diogenes Santiago
    de Azevedo, Walter Filgueira, Jr.
    ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS, 2007, 63 : 1 - 6
  • [14] Mechanism of irreversible inhibition of Mycobacterium tuberculosis shikimate kinase by ilimaquinone
    Simithy, Johayra
    Fuanta, Ngolui Rene
    Hobrath, Judith, V
    Kochanowska-Karamyan, Anna
    Hamann, Mark T.
    Goodwin, Douglas C.
    Calderon, Angela, I
    BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, 2018, 1866 (5-6): : 731 - 739
  • [15] Identification of potential inhibitors of Mycobacterium tuberculosis shikimate kinase: molecular docking, in silico toxicity and in vitro experiments
    Talita Freitas de Freitas
    Candida Deves Roth
    Bruno Lopes Abbadi
    Fernanda Souza Macchi Hopf
    Marcia Alberton Perelló
    Alexia de Matos Czeczot
    Eduardo Vieira de Souza
    Ana Flávia Borsoi
    Pablo Machado
    Cristiano Valim Bizarro
    Luiz Augusto Basso
    Luis Fernando Saraiva Macedo Timmers
    Journal of Computer-Aided Molecular Design, 2023, 37 : 117 - 128
  • [16] Identification of shikimate kinase inhibitors among anti-Mycobacterium tuberculosis compounds by LC-MS
    Simithy, Johayra
    Reeve, Nathaniel
    Hobrath, Judith V.
    Reynolds, Robert C.
    Calderon, Angela I.
    TUBERCULOSIS, 2014, 94 (02) : 152 - 158
  • [17] Identification of potential inhibitors of Mycobacterium tuberculosis shikimate kinase: molecular docking, in silico toxicity and in vitro experiments
    de Freitas, Talita Freitas
    Roth, Candida Deves
    Abbadi, Bruno Lopes
    Hopf, Fernanda Souza Macchi
    Perello, Marcia Alberton
    Czeczot, Alexia de Matos
    de Souza, Eduardo Vieira
    Borsoi, Ana Flavia
    Machado, Pablo
    Bizarro, Cristiano Valim
    Basso, Luiz Augusto
    Timmers, Luis Fernando Saraiva Macedo
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2023, 37 (03) : 117 - 128
  • [18] Mechanism of phosphoryl transfer catalyzed by shikimate kinase from Mycobacterium tuberculosis
    Hartmann, Marcus D.
    Bourenkov, Gleb P.
    Oberschall, Attila
    Strizhov, Nicolai
    Bartunik, Hans D.
    JOURNAL OF MOLECULAR BIOLOGY, 2006, 364 (03) : 411 - 423
  • [19] Structure-based prediction of Mycobacterium tuberculosis shikimate kinase inhibitors by high-throughput virtual screening
    Segura-Cabrera, Aldo
    Rodriguez-Perez, Mario A.
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2008, 18 (11) : 3152 - 3157
  • [20] Structure of shikimate kinase from Mycobacterium tuberculosis reveals the binding of shikimic acid
    Pereira, JH
    de Oliveira, JS
    Canduri, F
    Dias, MVB
    Palma, MS
    Basso, LA
    Santos, DS
    de Azevedo, WF
    ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2004, 60 : 2310 - 2319
12345