Applying In Silico approaches for designing a chimeric InaV/N-DFPase protein and evaluating its binding with diisopropyl-fluorophosphate

• Autorzy: Allahyari H. , Karami A. , Tebyanian H. , Nouri H.R. , Khodi S. , Farnoosh G. , Arab S.S. , Latifi A.M.
• Języki publikacji: EN

Abstrakty

EN

The N-terminal domain of the ice-nucleation protein InaV (InaV-N) of Pseudomonas syringae was applied to display the DFPase on the cell surface. In silico techniques were used to generate a model in order to examine the possibility of DFPase exhibition on the cell surface. The secondary and tertiary structures of a chimeric protein were determined and then, the predicted model was subjected to several repeated cycles of stereochemical evaluation and energy minimization. The homology-modeled structure of the InaV/N-DFPase protein was docked to DFP. The optimized inaV/N-dfpase gene was translated to 519 amino acids. The minimum free energy of the best-predicted secondary structures was formed by RNA molecules (-215.45 kcal/mol). SOPMA analysis results showed that the main helix peak corresponded to the anchor fragment. Validation of the 3D model indicated that 86.1% of amino acid residues were incorporated into the favored regions. The moldock score was 360.22 for DFP. Results of this study indicated that according to in silico analysis, all of these findings were effective in targeting DFPase.

Słowa kluczowe

EN

bioinformatics; in silico modelling; comparative modelling; diisopropyl-fluorophosphatase; chimeric gene

• Wydawca: -
• Czasopismo: International Letters of Natural Sciences
• Rocznik: 2019
• Tom: 75
• Opis fizyczny: p.41-51,fig.,ref.

Twórcy

autor

Allahyari H.

• Applied Biotechnology Research Center, Baqiyatallah University of Medical Sciences, Tehran, Iran

autor

Karami A.

• Applied Biotechnology Research Center, Baqiyatallah University of Medical Sciences, Tehran, Iran
• Research Center for Prevention of Oral and Dental Diseases, Baqiyatallah University of Medical Sciences, Tehran, Iran

autor

Tebyanian H.

• Research Center for Prevention of Oral and Dental Diseases, Baqiyatallah University of Medical Sciences, Tehran, Iran

autor

Nouri H.R.

• Cellular and Molecular Biology Research Center, Health Research Institute, Babol University of Medical Sciences, Babol, Iran

autor

Khodi S.

• Applied Biotechnology Research Center, Baqiyatallah University of Medical Sciences, Tehran, Iran

autor

Farnoosh G.

• Applied Biotechnology Research Center, Baqiyatallah University of Medical Sciences, Tehran, Iran

autor

Arab S.S.

• Biophysics Department, Faculty of Biological Sciences, Tarbiat Modares University, Tehran, Iran

autor

Latifi A.M.

• Applied Biotechnology Research Center, Baqiyatallah University of Medical Sciences, Tehran, Iran

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Identyfikatory

DOI

10.18052/www.scipress.com/ILNS.75.41