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Novel Insights into Understanding the Molecular Dialogues between Bipolaroxin and the Gα and Gβ Subunits of the Wheat Heterotrimeric G-Protein during Host–Pathogen Interaction

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Title Novel Insights into Understanding the Molecular Dialogues between Bipolaroxin and the Gα and Gβ Subunits of the Wheat Heterotrimeric G-Protein during Host–Pathogen Interaction
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Creator Deepti Malviya 1,†, Udai B. Singh 1,† , Budheswar Dehury 2,† , Prakash Singh 3,† , Manoj Kumar 1 , Shailendra Singh 1 , Anurag Chaurasia 4 , Manoj Kumar Yadav 5 , Raja Shankar 6 , Manish Roy 1 , Jai P. Rai 7 , Arup K. Mukherjee 8 , Ishwar Singh Solanki 9 , Arun Kumar 9 , Sunil Kumar 1,10,* and Harsh V. Singh 1,*
 
Subject wheat; Bipolaris sorokiniana; Bipolaroxin; docking; molecular dynamics simulation; Agra Local; Chinese Spring; Chriya3; MAPK pathways
 
Description Not Available
Spot blotch disease of wheat, caused by the fungus Bipolaris sorokiniana (Sacc.) Shoem.,
produces several toxins which interact with the plants and thereby increase the blightening of the
wheat leaves, and Bipolaroxin is one of them. There is an urgent need to decipher the molecular
interaction between wheat and the toxin Bipolaroxin for in-depth understanding of host–pathogen
interactions. In the present study, we have developed the three-dimensional structure of G-protein
alpha subunit from Triticum aestivum. Molecular docking studies were performed using the active
site of the modeled G-protein alpha and cryo-EM structure of beta subunit from T. aestivum and
‘Bipolaroxin’. The study of protein–ligand interactions revealed that six H-bonds are mainly formed
by Glu29, Ser30, Lys32, and Ala177 of G-alpha with Bipolaroxin. In the beta subunit, the residues
of the core beta strand domain participate in the ligand interaction where Lys256, Phe306, and
Leu352 formed seven H-bonds with the ligand Bipolaroxin. All-atoms molecular dynamics (MD)
simulation studies were conducted for G-alpha and -beta subunit and Bipolaroxin complexes to
explore the stability, conformational flexibility, and dynamic behavior of the complex system. In planta
studies clearly indicated that application of Bipolaroxin significantly impacted the physio-biochemical
pathways in wheat and led to the blightening of leaves in susceptible cultivars as compared to resistant
ones. Further, it interacted with the Gα and Gβ subunits of G-protein, phenylpropanoid, and MAPK
pathways, which is clearly supported by the qPCR results. This study gives deeper insights into
understanding the molecular dialogues between Bipolaroxin and the Gα and Gβ subunits of the
wheat heterotrimeric G-protein during host–pathogen interaction.
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Date 2024-06-24T16:12:15Z
2024-06-24T16:12:15Z
2022-01-01
 
Type Research Paper
 
Identifier Not Available
Not Available
http://krishi.icar.gov.in/jspui/handle/123456789/83741
 
Language English
 
Relation Not Available;
 
Publisher MDPI