Spectroscopy and computational studies on the interaction of octyl, dodecyl, and hexadecyl derivatives of anionic and cationic surfactants with adenosine deaminase.
Effects of sodium (octyl, dodecyl, hexadecyl) sulfate and their cationic analogous on the structure of adenosine deaminase (ADA) were investigated by fluorescence and circular dichroism spectroscopy as well as molecular dynamics simulation and docking calculation. Root-mean-square derivations, radius of gyration, solvent accessible surface area, and radial distribution function were obtained. The results showed that anionic and cationic surfactants reduce protein stability. Cationic surfactants have more effect on the ADA structure in comparison with anionic surfactants. More concentration and longer surfactants are parallel to higher denaturation. Furthermore, aggregation in the presence of anionic surfactants is more than cationic surfactants. Docking data showed that longer surfactants have more interaction energy and smaller ones bound to the active site.
a School of Chemistry , Damghan University , Damghan 367164167 , Iran.|b Institute of Biological Science , Damghan University , Damghan 367164167 , Iran.
Davood
D
Ajloo
a School of Chemistry , Damghan University , Damghan 367164167 , Iran.
Najmeh
N
Mahmoodabadi
a School of Chemistry , Damghan University , Damghan 367164167 , Iran.
Maryam
M
Ghadamgahi
c Institute of Biochemistry and Biophysics , University of Tehran , Tehran , Iran.
Ali Akbar
AA
Saboury
D000243:Adenosine Deaminase / Q000737:chemistry* / Q000378:metabolism; D000838:Anions; D001665:Binding Sites; D020134:Catalytic Domain; D002412:Cations; D008958:Models, Molecular; D008968:Molecular Conformation; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D011485:Protein Binding; D013057:Spectrum Analysis; D013501:Surface-Active Agents / Q000737:chemistry* / Q000378:metabolism
D000838:Anions; D002412:Cations; D013501:Surface-Active Agents; D000243:Adenosine Deaminase
docking; fluorescence; molecular dynamics; secondary structure; surfactant