ISSN 0976-4550  
DOI: 10.21276/Ijabpt  
 
 
 
Peer Reviewed Online International Journal of Applied Biology and Pharmaceutical Technology www.ijabpt.com
 

MODELING AND DOCKING STUDIES OF ANTIBACTERIAL PEPTIDE 50S RIBOSOMAL PROTEIN L31 EXPRESSED IN FRESH WATER CRAB BARYTELPHUSA GUERINI  Page No 10 to 18, Volume-8, Issue-3, July-Sept-2017

Mehad Mustafa, Nadeem Fatima Ansari, Jayasimha Rayalu Daddam, and N.V.Naidu

Homology modeling has significant potential as a tool in Bioinformatics, in particular in high throughput in silico screening.  In this work, Proteomic approaches were applied to separate proteins by using 2D-PAGE, (Two-Dimensional Gel Electrophoresis) and proteins were identified using MALDI-TOF-MS (matrix-assisted laser desorption/ionization time of flight mass spectrometry). From the MS data and peptide matching, it was identified that the protein expressed was 50S ribosomal protein L31 from Barytelphusa Guerini. We have studied the expression, regulation, and protein analysis of 50S ribosomal protein L31. After the peptide sequencing, domain and function of the protein was identified. 50S ribosomal protein L31 structure was generated using MODELLER9V7 software using 2AW4 as a template. With the aid of the molecular mechanics and molecular dynamics methods, the final model was obtained and further assessed by PROCHECK and Verify 3D graph programs, which showed that the final refined model is reliable. With this model, a flexible docking study was performed with Sortase A of staphylococcus aureus using GOLD3.0.1 software. The results indicated that ARG 157, THR115, LEU242 in Sortase A are amino acids involved in docking studies as these were having bonding with the Sortase A.

Key words: Barytelphusa Guerini, 2D-PAGE, MALDI-TOF-MS, Homology Modelling, Ribosomal protein L31

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