Interactions of 1-hydroxypyrene with bovine serum albumin: insights from multi-spectroscopy, docking and molecular dynamics simulation methods

RSC Advances ◽  
2016 ◽  
Vol 6 (28) ◽  
pp. 23622-23633 ◽  
Author(s):  
Jing Zhang ◽  
Weixiao Chen ◽  
Bowen Tang ◽  
Wei Zhang ◽  
Linfeng Chen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Bovine Serum Albumin ◽  
Adverse Effects ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Simulation Methods

Combining multi-spectroscopy, docking with MD simulations, the interactions of 1-hydroxypyrene with BSA and the adverse effects on BSA were investigated.

Adsorption of Bovine Serum Albumin on Poly(vinylidene fluoride) Surfaces in the Presence of Ions: A Molecular Dynamics Simulation

2018 ◽  
Vol 122 (6) ◽  
pp. 1919-1928 ◽  
Author(s):  
Abdul Rajjak Shaikh ◽  
Hamed Karkhanechi ◽  
Tomohisa Yoshioka ◽  
Hideto Matsuyama ◽  
Hiromitsu Takaba ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Vinylidene Fluoride ◽  
Dynamics Simulation ◽  
Poly Vinylidene Fluoride

A spectroscopic and molecular dynamics simulation approach towards the stabilizing effect of ammonium-based ionic liquids on bovine serum albumin

2017 ◽  
Vol 41 (19) ◽  
pp. 10712-10722 ◽  
Author(s):  
Lakkoji Satish ◽  
Sabera Millan ◽  
Krishnendu Bera ◽  
Sujata Mohapatra ◽  
Harekrushna Sahoo
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Dynamics Simulation ◽  
Thermal Unfolding ◽  
Simulation Approach ◽  
Stabilizing Effect ◽  
Theoretical Evidence

Experimental and theoretical evidence in support of the stabilizing effect of ammonium-based ionic liquids on thermal unfolding/refolding of bovine serum albumin is provided in this article.

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