Kinetic and binding effects in peptide substrate selectivity of matrix metalloproteinase-2: Molecular dynamics and QM/MM calculations

Natalia Díaz; Dimas Suárez; Ernesto Suárez

doi:10.1002/prot.22493

Kinetic and binding effects in peptide substrate selectivity of matrix metalloproteinase-2: Molecular dynamics and QM/MM calculations

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.22493 ◽

2009 ◽

Vol 78 (1) ◽

pp. 1-11 ◽

Cited By ~ 13

Author(s):

Natalia Díaz ◽

Dimas Suárez ◽

Ernesto Suárez

Keyword(s):

Molecular Dynamics ◽

Matrix Metalloproteinase ◽

Matrix Metalloproteinase 2 ◽

Substrate Selectivity ◽

Peptide Substrate

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Molecular dynamics simulations of the active matrix metalloproteinase-2: Positioning of the N-terminal fragment and binding of a small peptide substrate

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.21894 ◽

2008 ◽

Vol 72 (1) ◽

pp. 50-61 ◽

Cited By ~ 14

Author(s):

Natalia Díaz ◽

Dimas Suárez

Keyword(s):

Molecular Dynamics ◽

Matrix Metalloproteinase ◽

Molecular Dynamics Simulations ◽

Matrix Metalloproteinase 2 ◽

Peptide Substrate ◽

Small Peptide ◽

Active Matrix ◽

Terminal Fragment ◽

Dynamics Simulations

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A Residue in the S2Subsite Controls Substrate Selectivity of Matrix Metalloproteinase-2 and Matrix Metalloproteinase-9

Journal of Biological Chemistry ◽

10.1074/jbc.m210324200 ◽

2003 ◽

Vol 278 (19) ◽

pp. 17158-17163 ◽

Cited By ~ 36

Author(s):

Emily I. Chen ◽

Weizhong Li ◽

Adam Godzik ◽

Eric W. Howard ◽

Jeffrey W. Smith

Keyword(s):

Matrix Metalloproteinase ◽

Matrix Metalloproteinase 9 ◽

Matrix Metalloproteinase 2 ◽

Substrate Selectivity ◽

Metalloproteinase 9

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Insights into the Complex Formed by Matrix Metalloproteinase-2 and Alloxan Inhibitors: Molecular Dynamics Simulations and Free Energy Calculations

PLoS ONE ◽

10.1371/journal.pone.0025597 ◽

2011 ◽

Vol 6 (10) ◽

pp. e25597 ◽

Cited By ~ 11

Author(s):

Ilenia Giangreco ◽

Gianluca Lattanzi ◽

Orazio Nicolotti ◽

Marco Catto ◽

Antonio Laghezza ◽

...

Keyword(s):

Molecular Dynamics ◽

Free Energy ◽

Matrix Metalloproteinase ◽

Molecular Dynamics Simulations ◽

Free Energy Calculations ◽

Matrix Metalloproteinase 2 ◽

Energy Calculations ◽

Dynamics Simulations

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A model of BmK CT in inhibiting glioma cell migration via matrix metalloproteinase-2 from experimental and molecular dynamics simulation study

Biotechnology Letters ◽

10.1007/s10529-011-0587-7 ◽

2011 ◽

Vol 33 (7) ◽

pp. 1309-1317 ◽

Cited By ~ 23

Author(s):

Yue-Jun Fu ◽

Na An ◽

Kok-Gan Chan ◽

Yan-Bo Wu ◽

Shu-Hua Zheng ◽

...

Keyword(s):

Molecular Dynamics ◽

Cell Migration ◽

Molecular Dynamics Simulation ◽

Matrix Metalloproteinase ◽

Simulation Study ◽

Glioma Cell ◽

Dynamics Simulation ◽

Matrix Metalloproteinase 2 ◽

Bmk Ct ◽

Glioma Cell Migration

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Molecular dynamics simulation of Matrix Metalloproteinase 2: fluctuations and time evolution of recognition pockets

Journal of Computer-Aided Molecular Design ◽

10.1023/b:jcam.0000021883.44532.75 ◽

2003 ◽

Vol 17 (12) ◽

pp. 837-848 ◽

Cited By ~ 11

Author(s):

Mattia Falconi ◽

Gioia Altobelli ◽

Maria Cristina Iovino ◽

Vincenzo Politi ◽

Alessandro Desideri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Matrix Metalloproteinase ◽

Time Evolution ◽

Dynamics Simulation ◽

Matrix Metalloproteinase 2

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Unraveling the Molecular Structure of the Catalytic Domain of Matrix Metalloproteinase-2 in Complex with a Triple-Helical Peptide by Means of Molecular Dynamics Simulations

Biochemistry ◽

10.1021/bi401144p ◽

2013 ◽

Vol 52 (47) ◽

pp. 8556-8569 ◽

Cited By ~ 6

Author(s):

Natalia Díaz ◽

Dimas Suárez ◽

Haydeé Valdés

Keyword(s):

Molecular Structure ◽

Molecular Dynamics ◽

Matrix Metalloproteinase ◽

Molecular Dynamics Simulations ◽

Catalytic Domain ◽

Matrix Metalloproteinase 2 ◽

Helical Peptide ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Matrix Metalloproteinase 2: Role of the Structural Metal Ions†,‡

Biochemistry ◽

10.1021/bi700541p ◽

2007 ◽

Vol 46 (31) ◽

pp. 8943-8952 ◽

Cited By ~ 28

Author(s):

Natalia Díaz ◽

Dimas Suárez

Keyword(s):

Molecular Dynamics ◽

Matrix Metalloproteinase ◽

Metal Ions ◽

Molecular Dynamics Simulations ◽

Matrix Metalloproteinase 2 ◽

Structural Metal ◽

Dynamics Simulations

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W01.18 Matrix metalloproteinase 2 and 9 evaluation in different patient groups with or without diabetes

Atherosclerosis ◽

10.1016/s0021-9150(04)90018-4 ◽

2004 ◽

Vol 5 (1) ◽

pp. 5

Author(s):

G DEROSA

Keyword(s):

Matrix Metalloproteinase ◽

Matrix Metalloproteinase 2 ◽

Patient Groups

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Ionizing Radiation Enhances Matrix Metalloproteinase-2 Secretion and Invasion of Glioma Cells through Src/Epidermal Growth Factor Receptor-Mediated p38/Akt and Phosphatidylinositol 3-Kinase/Akt Signaling Pathways

Yearbook of Pathology and Laboratory Medicine ◽

10.1016/s1077-9108(08)70678-9 ◽

2008 ◽

Vol 2008 ◽

pp. 231-233

Author(s):

C. Horbinski

Keyword(s):

Epidermal Growth Factor Receptor ◽

Growth Factor ◽

Epidermal Growth Factor ◽

Matrix Metalloproteinase ◽

Growth Factor Receptor ◽

Glioma Cells ◽

Akt Signaling ◽

Matrix Metalloproteinase 2 ◽

Phosphatidylinositol 3 Kinase ◽

Epidermal Growth

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Dinstinct pro-inflammatory cytokines regulate matrix metalloproteinase-2 and 9 levels in congestive heart failure

European Journal of Heart Failure Supplements ◽

10.1016/s1567-4215(08)60384-7 ◽

2008 ◽

Vol 7 ◽

pp. 136-136

Author(s):

I ANDREOU ◽

D TOUSOULIS ◽

C VASILIADOU ◽

C TENTOLOURIS ◽

I KOTROGIANNIS ◽

...

Keyword(s):

Heart Failure ◽

Congestive Heart Failure ◽

Matrix Metalloproteinase ◽

Inflammatory Cytokines ◽

Matrix Metalloproteinase 2 ◽

Pro Inflammatory Cytokines

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