scholarly journals Aggregation behavior of cetyldimethylethylammonium bromide under the influence of bovine serum albumin in aqueous/electrolyte solutions at various temperatures and compositions: conductivity and molecular dynamics study

RSC Advances ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 6556-6567 ◽  
Author(s):  
Md. Farid Ahmed ◽  
Mohammad Robel Molla ◽  
Mousumi Saha ◽  
Imrul Shahriar ◽  
Mohammad Saidur Rahman ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Aqueous Electrolyte ◽  
Electrolyte Solutions ◽  
Aggregation Behavior ◽  
Aqueous Electrolyte Solutions ◽  
Molecular Dynamics Methods

Herein, we have investigated the interaction of bovine serum albumin with a cetyldimethylethylammonium bromide,viaa conductivity and molecular dynamics methods in the absence/presence of electrolyte solutions.

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.

Thiol-reactive Clenbuterol Analogues Conjugated to Bovine Serum Albumin

2004 ◽  
Vol 59 (11-12) ◽  
pp. 880-886 ◽  
Author(s):  
Marko Oblak ◽  
Andrej Preželj ◽  
Slavko Pečar ◽  
Tom Solmajer
Keyword(s):  
Molecular Dynamics ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Spin Label ◽  
Bovine Serum ◽  
Spin Probe ◽  
Coupling Reaction ◽  
High Yield ◽  
Paramagnetic Resonance ◽  
Electron Paramagnetic

Several novel thiol-reactive clenbuterol analogues were coupled in high yield with bovine serum albumin (BSA). After labelling of unreacted cysteines with maleimide spin label (MiSL), the yield of the coupling reaction was determined by electron paramagnetic resonance (EPR) spectroscopy and spectral analysis. Two spin-probe populations with different mobility states were quantitatively determined. Molecular dynamics was used to model the structure of clenbuterol analogues and spin label conjugated to BSA and recognition of conjugates by anti-clenbuterol antibodies was demonstrated. The recognition of BSA-A, BSA-C and BSAS conjugates with monoclonal and polyclonal anti-clenbuterol (mCLB-Ab and rCLB-Ab) antibodies was an indication, that chlorine substituents on the aromatic ring of clenbuterol derivatives are not necessary for the binding of antibodies to the conjugates. These results confirmed the importance of the tert-butylamino group as a part of the epitope and contribute to the understanding of the recognition process with anti-clenbuterol antibodies.

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