Bhattacharya, Ritwick; Daoud, Ismail; Chatterjee, Arnab; Chatterjee, Soumendranath; Saha, Nimai Chandra published the artcile< An integrated in silico and in vivo approach to determine the effects of three commonly used surfactants sodium dodecyl sulphate, cetylpyridinium chloride and sodium laureth sulphate on growth rate and hematology in Cyprinus carpio L>, SDS of cas: 123-03-5, the main research area is Cyprinus carpio sodium dodecyl sulfate cetylpyridinium chloride hematol; Homology modeling; erythropoietin; hydrogen bond; hydrophobic interaction; molecular docking; somatotropin.
The purpose of this work is to evaluate the homol. modeling, in silico prediction, and characterization of somatotropin and erythropoietin from Cyprinus carpio as well as mol. docking and simulation experiments between the modeled proteins and surfactants sodium dodecyl sulfate (SDS), sodium laureth sulfate (SLES) and cetylpyridinium chloride (CPC). Using the best fit template structure, homol. modeling of somatotropin and erythropoietin of Cyprinus carpio resp. was conducted. The model structures were improved further with 3Drefine, and the final 3D structures were verified with PROCHEK, ERRATA and ProQ. The physiochem., as well as the stereochem. parameters of the modeled proteins, were evaluated using ExPASy’s ProtParam. Mol. docking calculations, protein-ligand interactions, and protein flexibility anal. were carried out to determine the binding pattern of each ligand to the targeted proteins and their effect on the overall proteins’ conformation. Our in silico anal. showed that hydrophobic interactions with the active site amino acid residues of the modeled proteins (somatotropin and erythropoietin) were more prevalent than hydrogen bonds and salt bridges that affect the flexibility and stability of the somatotropin and erythropoietin as revealed from our protein flexibility anal. The in vivo anal. showed that sublethal concentrations of SDS, SLES, and CPC neg. affected the growth and hematol. parameters of Cyprinus carpio. Hence, it may be inferred from the study that the alterations in the flexibility of somatotropin and erythropoietin of Cyprinus carpio upon addition of SDS, CPC and SLES might be attributable to the reduction in growth and hematol. parameters.
Toxicology Mechanisms and Methods published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, SDS of cas: 123-03-5.