Interactions between the antiviral drug telaprevir and human serum albumin: a combined study with spectroscopic methods and molecular modeling

Antiviral Drug ◽

Spectroscopic Methods ◽

Binding Mechanism ◽

The binding mechanism between telaprevir and human serum albumin was explored by combining spectroscopic methods and molecular dynamics simulations.

Molecular Dynamics Simulations of Human Serum Albumin and Role of Disulfide Bonds

The Journal of Physical Chemistry B ◽

10.1021/jp402994r ◽

2013 ◽

Vol 117 (40) ◽

pp. 11895-11905 ◽

Cited By ~ 32

Author(s):

Maria Monica Castellanos ◽

Coray M. Colina

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Disulfide Bonds ◽

Identification of Glucose-Binding Pockets in Human Serum Albumin Using Support Vector Machine and Molecular Dynamics Simulations

IEEE/ACM Transactions on Computational Biology and Bioinformatics ◽

10.1109/tcbb.2015.2415806 ◽

2016 ◽

Vol 13 (1) ◽

pp. 148-157 ◽

Cited By ~ 3

Author(s):

Preethi Ranganarayanan ◽

Narmadha Thanigesan ◽

Vivek Ananth ◽

Valadi K. Jayaraman ◽

Vigneshwar Ramakrishnan

Keyword(s):

Molecular Dynamics ◽

Support Vector Machine ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Support Vector ◽

Glucose Binding ◽

Binding Pockets ◽

Destabilization of Human Serum Albumin by Ionic Liquids Studied Using Enhanced Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.6b09410 ◽

2016 ◽

Vol 120 (47) ◽

pp. 12079-12087 ◽

Cited By ~ 16

Author(s):

Vance W. Jaeger ◽

Jim Pfaendtner

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Combined docking, molecular dynamics simulations and spectroscopic studies for the rational design of a dipeptide ligand for affinity chromatography separation of human serum albumin

Journal of Molecular Modeling ◽

10.1007/s00894-014-2446-7 ◽

2014 ◽

Vol 20 (10) ◽

Cited By ~ 21

Author(s):

Elham Aghaee ◽

Jahan B. Ghasemi ◽

Firouzeh Manouchehri ◽

Saeed Balalaie

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Affinity Chromatography ◽

Human Serum ◽

Rational Design ◽

Spectroscopic Studies ◽

Interactions of benzotriazole UV stabilizers with human serum albumin: Atomic insights revealed by biosensors, spectroscopies and molecular dynamics simulations

Chemosphere ◽

10.1016/j.chemosphere.2015.09.085 ◽

2016 ◽

Vol 144 ◽

pp. 1050-1059 ◽

Cited By ~ 89

Author(s):

Shulin Zhuang ◽

Haifei Wang ◽

Keke Ding ◽

Jiaying Wang ◽

Liumeng Pan ◽

...

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

2P055 Structural analysis of drug binging site on human serum albumin by molecular dynamics simulations

Seibutsu Butsuri ◽

10.2142/biophys.44.s123_3 ◽

2004 ◽

Vol 44 (supplement) ◽

pp. S123

Author(s):

S. Fujiwara ◽

T. Amisaki

Keyword(s):

Molecular Dynamics ◽

Structural Analysis ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Conformational relaxations of human serum albumin studied by molecular dynamics simulations with pressure jumps

Biopolymers and Cell ◽

10.7124/bc.00013b ◽

2012 ◽

Vol 28 (6) ◽

pp. 486-492 ◽

Cited By ~ 4

Author(s):

S. O. Yesylevskyy ◽

T. O. Hushcha

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Human serum albumin interactions with C60 fullerene studied by spectroscopy, small-angle neutron scattering, and molecular dynamics simulations

Journal of Nanoparticle Research ◽

10.1007/s11051-013-1769-0 ◽

2013 ◽

Vol 15 (7) ◽

Cited By ~ 9

Author(s):

Song Li ◽

Xiongce Zhao ◽

Yiming Mo ◽

Peter T. Cummings ◽

William T. Heller

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Neutron Scattering ◽

Human Serum ◽

Small Angle ◽

Small Angle Neutron Scattering ◽

C60 Fullerene ◽

Investigation on the Interaction of Dabrafenib with Human Serum Albumin Using Combined Experiment and Molecular Dynamics Simulation: Exploring the Binding Mechanism, Esterase-like Activity, and Antioxidant Activity

Molecular Pharmaceutics ◽

10.1021/acs.molpharmaceut.8b00806 ◽

2018 ◽

Vol 15 (12) ◽

pp. 5637-5645 ◽

Cited By ~ 2

Author(s):

Zili Suo ◽

Xinnuo Xiong ◽

Qiaomei Sun ◽

Ludan Zhao ◽

Peixiao Tang ◽

...

Keyword(s):

Molecular Dynamics ◽

Antioxidant Activity ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Dynamics Simulation ◽

Binding Mechanism

Interaction of coomassie brilliant blue G250 with human serum albumin: Probing of the binding mechanism and binding site by spectroscopic and molecular modeling methods

Journal of Molecular Structure ◽

10.1016/j.molstruc.2010.01.015 ◽

2010 ◽

Vol 968 (1-3) ◽

pp. 24-31 ◽

Cited By ~ 29

Author(s):

Yue-Sheng Li ◽

Yu-Shu Ge ◽

Yue Zhang ◽

Ai-Qing Zhang ◽

Shao-Fa Sun ◽

...

Keyword(s):

Molecular Modeling ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Binding Site ◽

Brilliant Blue ◽

Binding Mechanism ◽

Coomassie Brilliant Blue ◽

Modeling Methods ◽

Coomassie Brilliant