Investigating the interaction between some of Bipolaris sorokiniana’s toxins and the Gα Subunit of the Wheat G-Protein using bioinformatics tools

Spot blotch disease of wheat, caused by the fungus Bipolaris sorokiniana (Sacc.) Shoem., produces several toxins like: prehelminthosporol, helminthosporol, helminthosporic acid, sorokinianin, Bipolaroxin. These interact with plant and thereby increase symptoms small dark lesions huge yield losses in different regions around world so there is an urgent need to decipher molecular interaction between wheat those for in-depth understanding host–pathogen interactions. In present study, we have modeledthe three-dimensional structure G-protein alpha subunit from Triticum aestivum as was shown that it important player behind resistance many diseases. Molecular docking studies were performed using active site modeled T. aestivumand some fungus’s followed dynamics (MD) simulation explore stability, conformational flexibility, dynamic behavior. Protein-ligand study revealed one H-bond formed Lys302 hydrophobic contacts Tyr159, Gly162, Val167, Asp256, Gln257 Ile298 three H-bonds Asp256 interactions Ser160, Cys161, Ser162, Ile298, Val306 acid. two His172, Arg301 Pro168, Asp169, sorokinianin. six mainly Glu29, Ser30, Lys32, Ala177. addition H-bonds, Gly28, Gly31, Ser33, Thr34, Arg78, Val179, Thr181 Gly209 Bipolaroxin also observed.