In silico characterisation and homology modelling of toll/toll like receptors (TLRs) from penaeid shrimps

Abstract

Toll or Toll-like receptors are conserved receptors, which act as the first line of defense against infection by pathogens. To use Toll/Toll like receptors as drug targets, it is essential to understand their physico-chemical properties and three dimensional structures. In the present study, physico-chemical properties and secondary structure of Toll/Toll like receptors from selected species of penaeid shrimps viz., Penaeus chinensis, P. vannamei, P. monodon and P. japonicus were computed using online servers. Three dimensional structure was predicted by homology modelling using different softwares,  SWISS-MODEL, Phyre2 and Geno3D softwares were validated using online tools to find the best model for the protein under study. From the physicochemical properties, nature of the Toll/Toll like receptor protein was revealed as acidic, thermostable, hydrophobic and transmembrane protein. Structural analysis indicated the presence of alpha helices and random coils as predominant elements followed by extended stands and beta turns. Three dimensional structures predicted using SWISS-MODEL was validated as extremely good model using Protein Quality Predictor online server.

Keywords: Homology modelling, In silico, Physico-chemical properties, Secondary structure, Shrimp, Toll like receptors