Bhattacharya, Ritwick; Chatterjee, Arnab; Chatterjee, Soumendranath; Saha, Nimai Chandra published the artcile< Commonly used surfactants sodium dodecyl sulphate, cetylpyridinium chloride and sodium laureth sulphate and their effects on antioxidant defence system and oxidative stress indices in Cyprinus carpio L.: an integrated in silico and in vivo approach>, Application of C21H38ClN, the main research area is surfactant sodium dodecyl sulfate cetylpyridinium chloride antioxidant defense system; Cyprinus carpio; Cytochrome P450; Homology modelling; Molecular docking; Oxidative stress.
The present study evaluated the homol. modeling, in silico prediction and characterization of Cyprinus carpio cytochrome P 450, as well as mol. docking experiments between the modelled protein and the surfactants sodium dodecyl sulfate (SDS), sodium laureth sulfate (SLES) and cetylpyridinium chloride (CPC). Homol. modeling of cytochrome P 450 was performed using the best fit template structure. The structure was optimized with 3D refine, and the ultimate 3D structure was checked with PROCHEK and ERRATA. ExPASy’s ProtParam was likewise used to analyze the modelled protein’s physiochem. and stereochem. attributes. To establish the binding pattern of each ligand to the targeted protein and its effect on the overall protein conformation, mol. docking calculations and protein-ligand interactions were performed. Our in silico anal. revealed that hydrophobic interactions with the active site amino acid residues of cytochrome P 450 were more prevalent than hydrogen bonds and salt bridges. The in vivo anal. exhibited that exposure of fish to sublethal concentrations (10% and 30% of 96 h LC50) of SDS (0.34 and 1.02 mg/l), CPC (0.002 and 0.006 mg/l) and SLES (0.69 and 2.07 mg/l) at 15d, 30d and 45d adversely affected the oxidative stress and antioxidant enzymes (CAT, SOD, GST, GPx and MDA) in the liver of Cyprinus carpio. As a result, the study suggests that elicited oxidative stress, prompted by the induction of antioxidant enzymes activity, could be attributable to the stable binding of cytochrome P 450 with SDS, CPC and SLES which ultimately leads to the evolution of antioxidant enzymes for its neutralization.
Environmental Science and Pollution Research published new progress about Antioxidant enzymes Role: CAT (Catalyst Use), USES (Uses). 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Application of C21H38ClN.