Journal of Pharmacognosy and Phytochemistry
Vol. 8, Issue 2 (2019)
Homology modelling and simulation of Wolbachia surface protein (WSP) of Uzifly and study of its Insilico protein-protein anti-apoptosis interaction process with ethanol stressed HepG2 Cell line pathway proteins
Kishore VP and Puttaraju HP
Aim: The main objective of this study was to investigate the pharmacological effect of modelled Wolbachia Surface Protein (WSP) on Ethanol stressed HepG2 cell line and the role of WSP in Anti-apoptosis process.
Materials and Methods: The sequence of WSP protein was retrieved from protein databases and subjected to homology modelling. The modelled structure was validated using online tools and softwares and energy minimization was introduced to improve the total quality of the structure. The fine refined structure model of WSP was docked with various proteins involved in Ethanol stressed HepG2 cell line. Finally, the best scored protein-protein interaction was reported.
Results and Discussion: During homology modelling with various templates, the Protein Data Bank (PDB) ID: 1P4T_A a Neisserial Surface Protein A showed good sequence alignment, least positives with the best Discrete Optimized Protein Energy (DOPE) score of -11,757.60 and 0.611Å root-mean-square deviation (RMSD). Further docking of WSP with seven crucial proteins involved in Ethanol stressed HepG2 cell line was done. Among the seven crucial proteins, apoptosis inhibition was more Favoured through the Fas ligand (Fas L) and c-Jun N-terminal kinases with best energy score of value -34.0318 kcal/mol and -33.16 kcal/mol respectively.
Conclusion: Hence, the WSP interaction was studied only with the top scored complex of Fas ligand (Fas L). From the results, it was clearly revealed that anti-apoptosis in Ethanol stressed HepG2 cell line is more Favoured through Fas L and thereby it protects the HepG2 cells from damage. Thus WSP might have a significant therapeutic effect on Ethanol-related liver diseases.
Pages: 618-624 | 910 Views 188 Downloads
Kishore VP and Puttaraju HP. Homology modelling and simulation of Wolbachia surface protein (WSP) of Uzifly and study of its Insilico protein-protein anti-apoptosis interaction process with ethanol stressed HepG2 Cell line pathway proteins. J Pharmacogn Phytochem 2019;8(2):618-624.