Binding and catalysis of metallo-beta-lactamase studied using a SCC-DFTB/CHARMM approach

被引：0
|
作者：
Xu, Dingguo [1 ]
Zhou, Yanzi [2 ]
Xie, Daiqian [2 ]
Guo, Hua [1 ]
机构：
[1] Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA
[2] Nanjing Univ, Dept Chem, Nanjing, Peoples R China
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2006年 / 232卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
128-COMP
引用
收藏
页码：105 / 105
页数：1
相关论文
共 13 条
  • [1] Antibiotic binding to dizinc β-lactamase L1 from Stenotrophomonas maltophilia:: SCC-DFTB/CHARMM and DFT Studies
    Xu, Dingguo
    Guo, Hua
    Cui, Qiang
    JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (26): : 5630 - 5636
  • [2] New Delhi Metallo-beta-lactamase around the world: An eReview using Google Maps
    Berrazeg, M.
    Diene, S. M.
    Medjahed, L.
    Parola, P.
    Drissi, M.
    Raoult, D.
    Rolain, J. M.
    EUROSURVEILLANCE, 2014, 19 (20): : 2 - 15
  • [3] Immobilization of IMP-1 metallo-beta-lactamase: the promising approach for the removal of beta-lactam antibiotics
    Shokoohizadeh, Mohammad Javad
    Karami, Farahnaz
    Mousavi, Seyyed Alireza
    Khodarahmi, Reza
    Almasi, Ali
    DESALINATION AND WATER TREATMENT, 2022, 253 : 248 - 255
  • [4] In silico vaccine design and epitope mapping of New Delhi metallo-beta-lactamase (NDM): an immunoinformatics approach
    Fathollahi, Matin
    Fathollahi, Anwar
    Motamedi, Hamid
    Moradi, Jale
    Alvandi, Amirhooshang
    Abiri, Ramin
    BMC BIOINFORMATICS, 2021, 22 (01)
  • [5] In silico vaccine design and epitope mapping of New Delhi metallo-beta-lactamase (NDM): an immunoinformatics approach
    Matin Fathollahi
    Anwar Fathollahi
    Hamid Motamedi
    Jale Moradi
    Amirhooshang Alvandi
    Ramin Abiri
    BMC Bioinformatics, 22
  • [6] A multiscale approach to predict the binding mode of metallo beta-lactamase inhibitors
    Gervasoni, Silvia
    Spencer, James
    Hinchliffe, Philip
    Pedretti, Alessandro
    Vairoletti, Franco
    Mahler, Graciela
    Mulholland, Adrian J.
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2022, 90 (02) : 372 - 384
  • [7] Molecular dynamic simulations of the metallo-beta-lactamase from Bacteroides fragilis in the presence and absence of a tight-binding inhibitor
    Freddie R. Salsbury
    Michael W. Crowder
    Stephen F. Kingsmore
    James J. A. Huntley
    Journal of Molecular Modeling, 2009, 15
  • [8] Molecular dynamic simulations of the metallo-beta-lactamase from Bacteroides fragilis in the presence and absence of a tight-binding inhibitor
    Salsbury, Freddie R., Jr.
    Crowder, Michael W.
    Kingsmore, Stephen F.
    Huntley, James J. A.
    JOURNAL OF MOLECULAR MODELING, 2009, 15 (02) : 133 - 145
  • [9] Computational Insights into the Binding Potential of Natural Products Against Pseudomonas aeruginosa Metallo-beta-lactamase VIM-1 to Combat Antibiotic Resistance
    Zoghebi, Khalid
    Rehman, Zia ur
    Alhazmi, Hassan A.
    Albratty, Mohammed
    Najmi, Asim
    Moni, Sivakumar S.
    Abdelwahab, Siddig Ibrahim
    Taha, Manal Mohamed Elhassan
    Khalid, Asaad
    Algaissi, Abdullah
    Oraiby, Magbool Essa
    Qumayri, Wafa Ibrahim
    Al-Agsam, Faridah Hussain
    CHEMISTRY & BIODIVERSITY, 2025,
  • [10] Fecal microbiota transplantation before liver transplant in patient colonized with New Delhi metallo-beta-lactamase: Are we ready for a sequential approach?
    Martini, Silvia
    Zaccaria, Teresa
    Gasbarrini, Antonio
    Cammarota, Giovanni
    Romagnoli, Renato
    Ianiro, Gianluca
    TRANSPLANT INFECTIOUS DISEASE, 2024, 26 (02)
12