QM/MM study of HCV NS3/NS4A protease with its main substrates: from the structure to the kinetics

被引:0
|
作者
Martinez, J. A. [1 ]
Martinez, R. [1 ]
Puyuelo, M. P. [1 ]
Masgrau, L. [2 ]
Gonzalez, M. [3 ,4 ]
机构
[1] Univ La Rioja, Dept Quim, Logrono, Spain
[2] Inst Biotecnol & Biomed, Barcelona, Spain
[3] Univ Barcelona, Dept Quim Fis, E-08007 Barcelona, Spain
[4] Univ Barcelona, IQTC, E-08007 Barcelona, Spain
关键词
D O I
暂无
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
引用
收藏
页码:S196 / S196
页数:1
相关论文
共 50 条
  • [1] Mechanistic role of NS4A and substrate in the activation of HCV NS3 protease
    Zhu, Haimei
    Briggs, James M.
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2011, 79 (08) : 2428 - 2443
  • [2] A comparative QM/MM study of the reaction mechanism of the Hepatitis C virus NS3/NS4A protease with the three main natural substrates NS5A/5B, NS4B/5A and NS4A/4B
    Rodriguez, Alejandro
    Oliva, Carolina
    Gonzalez, Miguel
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2010, 12 (28) : 8001 - 8015
  • [3] Synthetic bulky NS4A peptide variants bind to and inhibit HCV NS3 protease
    El-Araby, Moustafa E.
    Omar, Abdelsattar M.
    Soror, Sameh H.
    Arold, Stefan T.
    Khayat, Maan T.
    Asfour, Hani Z.
    Bamane, Faida
    Elfaky, Mahmoud A.
    JOURNAL OF ADVANCED RESEARCH, 2020, 24 : 251 - 259
  • [4] Binding of the macrocyclic noncovalent inhibitor TMC435 to its HCV NS3/NS4A protease target
    Cummings, Maxwell D.
    Lindberg, Jimmy
    Lin, Tse-I
    de Kock, Herman
    Lenz, Oliver
    Lilja, Elisabet
    Fellander, Sara
    Baraznenok, Vera
    Nystrom, Susanne
    Nilsson, Magnus
    Vrang, Lotta
    Edlund, Michael
    Rosenquist, Asa
    Samuelsson, Bertil
    Raboisson, Pierre
    Simmen, Kenneth
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
  • [5] GRAZOPREVIR POTASSIUM HCV NS3 NS4A protease inhibitor Anti-hepatitis C virus drug
    Majumdar, A.
    Gilliam, B. L.
    DRUGS OF THE FUTURE, 2016, 41 (02) : 85 - 109
  • [6] Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
    Cummings, Maxwell D.
    Lindberg, Jimmy
    Lin, Tse-I
    de Kock, Herman
    Lenz, Oliver
    Lilja, Elisabet
    Fellander, Sara
    Baraznenok, Vera
    Nystrom, Susanne
    Nilsson, Magnus
    Vrang, Lotta
    Edlund, Michael
    Rosenquist, Asa
    Samuelsson, Bertil
    Raboisson, Pierre
    Simmen, Kenneth
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2010, 49 (09) : 1652 - 1655
  • [7] The acidic sequence of the NS4A cofactor regulates ATP hydrolysis by the HCV NS3 helicase
    Sergey A. Shiryaev
    Andrei V. Chernov
    Tatiana N. Shiryaeva
    Alexander E. Aleshin
    Alex Y. Strongin
    Archives of Virology, 2011, 156 : 313 - 318
  • [8] The acidic sequence of the NS4A cofactor regulates ATP hydrolysis by the HCV NS3 helicase
    Shiryaev, Sergey A.
    Chernov, Andrei V.
    Shiryaeva, Tatiana N.
    Aleshin, Alexander E.
    Strongin, Alex Y.
    ARCHIVES OF VIROLOGY, 2011, 156 (02) : 313 - 318
  • [9] GENOTYPE SPECIFIC STUDIES OF EFFICACY OF LEAD COMPOUND HCV PROTEASE AND NS5A INHIBITORS USING NOVEL CELL CULTURE INFECTIOUS HCV RECOMBINANTS EXPRESSING NS3/NS4A PROTEASE, NS4A, OR NS5A OF GENOTYPES 1-7
    Gottwein, Judith M.
    Scheel, Troels K.
    Jensen, Tanja B.
    Mikkelsen, Lotte S.
    Ghanem, Lubna
    Bukh, Jens
    HEPATOLOGY, 2010, 52 (04) : 816A - 816A
  • [10] Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide
    Kim, JL
    Morgenstern, KA
    Lin, C
    Fox, T
    Dwyer, MD
    Landro, JA
    Chambers, SP
    Markland, W
    Lepre, CA
    OMalley, ET
    Harbeson, SL
    Rice, CM
    Murcko, MA
    Caron, PR
    Thomson, JA
    CELL, 1996, 87 (02) : 343 - 355