Theoretical model to investigate the alkyl chain and anion dependent interactions of gemini surfactant with bovine serum albumin

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Vijay K VishvakarmaAnand Kumar Chakrawarty

Abstract

Surfactants are used to prevent the irreversible aggregation of partially refolded proteins and they also assist in protein refolding. We have reported the design and screening of gemini surfactant to stabilize bovine serum albumin (BSA) with the help of computational tool (iGEMDOCK). A series of gemini surfactant has been designed based on bis-N-alkyl nicotinate dianion via varying the alkyl group and anion. On changing the alkyl group and anion of the surfactant, the value of Log P changes means polarity of surfactant can be tuned. Further, the virtual screening of the gemini surfactant has been carried out based on generic evolutionary method. Herein, thermodynamic data was studied to determine the potential of gemini surfactant as BSA stabilizer. Computational tools help to find out the efficient gemini surfactant to stabilize the BSA rather than to use the surfactant randomly and directionless for the stabilization. It can be confirmed through the experimental techniques. Previously, researcher synthesized one of the designed and used gemini surfactant to stabilize the BSA and their interactions were confirmed through various techniques and computational docking. But herein, the authors find the most competent gemini surfa...Continue Reading

References

Jun 28, 2006·The Journal of Physical Chemistry. B·Barbara OrioniGerardino D'Errico
Nov 20, 2013·Physical Chemistry Chemical Physics : PCCP·Rajib Ghosh, Dipak K Palit

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