Novel insight into the molecular interaction of catalase and sucrose: A combination of in silico and in planta assays study

Abstract

A B S T R A C TOsmolytes are known to be an important factor for the stabilization and proficient functioning of proteins. However, the stabilization mechanism of proteins by the interaction of osmolytes is still not well explored. Here, we performed in silico 3D structure modelling of rice catalase-A (CatA) protein and its molecular interaction with sucrose. Further, in planta was conducted to see the effects of sucrose on catalase activity in rice grown in saline sodic soil at different time intervals. The molecular docking experiments results showed that sucrose can be ligated with CatA, protein forming hydrogen bond with precise amino acid residues like, R49, R89, P309, F311, Y335 and T338. The interaction also comprises the contribution of hydrophobic amino acid residues like V50, V51, H52, L123, A310, Q339 and R342. The planta in vitro catalase activity assay showed that plants treated with sucrose significantly affect the catalase activity in rice. Results revealed that maximum catalase activity was recorded in plants treated with 150 and 200 ppm of sucrose after 15 days of sucrose application. However, minimum activity was recorded in control plants. We believe that our study will provides an advanced understanding of catalase activity in plants exposed to osmotic stress.

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

“…The aim of the present investigation was to understand the molecular dialogues between Bipolaroxin and the Gα and Gβ subunits of the wheat heterotrimeric G-protein during host–pathogen interaction. In the present investigation, host–pathogen interaction mediated by cognate receptors and corresponding effector molecules can be explored through the molecular dynamics simulation (MD) studies [ 25 , 26 , 27 ]. Therefore, in this study, we employed a molecular modeling technique coupled with MD simulations to infer the probable mode of binding of Bipolaroxin to the Gα and Gβ subunits.…”

“…Furthermore, the role and involvement of the Gα and Gβ subunits of the wheat heterotrimeric G-protein in wheat plant challenged with Bipolaroxin needs to be explored to find out the mechanism behind the host–pathogen interaction. The host–pathogen interaction mediated by cognate receptor and corresponding effector molecules can be explored through the molecular dynamics simulation (MD) studies [ 25 , 26 , 27 , 28 ]. Therefore, in the present study, we employed the molecular modeling technique coupled with MD simulations to infer the probable mode of binding of Bipolaroxin to the Gα and Gβ subunits and how Bipolaroxin modulates the physio-biochemical and molecular mechanisms in wheat.…”

Targeting Epstein‐Barr Virus dUTPase, an Immunomodulatory Protein Using Antiviral, Anti‐Inflammatory, and Neuroprotective Phytochemicals

“…The Rg represents the atomic distribution from their mutual center of mass in terms of mass-weighted root mean square distance. [37,38] The Rg depicts the compactness and inclusive dimension of the protein and protein-ligand complexes that may comprise their appropriate interactions. Protein-ligand complexes displayed the least radius of gyration, indicating their compact packing and stability.…”

Delineation of molecular interactions of plant growth promoting bacteria induced β-1,3-glucanases and guanosine triphosphate ligand for antifungal response in rice: a molecular dynamics approach

“…ADO34999). Templates for the comparative modeling were identified using the BLASTp search against the Brook Haven Protein Data Bank (PDB) with default parameters [15][16][17][18]. The sequence alignments of the target and template were carried out using Multalin program [19].…”