Journal of Environmental Biology

Structural and functional characterization of heat-resistant wheat variety Aegilops speltoides: Insights from bioinformatics and comparative modeling

J. Kaur¹ and G. Mukherjee²*     

¹School of Agricultural Biotechnology, Panjab Agricultural University, Ludhiana-141 004, India

²University Institute of Biotechnology, Chandigarh University, Mohali-141 413, India

Received: 11 February 2025                   Revised: 23 July 2025                   Accepted: 28 February 2026

*Corresponding Author Email: gunjanmukherjee@gmail.com                  *ORCiD: https://orcid.org/0000-0003-2835-9317

Abstract

Aim: Heat stress significantly impacts wheat crops worldwide. A wild species of wheat, Aegilops speltoides, has a remarkable ability to withstand heat, making it an ideal resource for studying how plants cope with stress. Heat shock proteins, or HSPs, are important for keeping cells stable during high temperatures. For this research, we used computer modeling to examine these proteins in Aegilops speltoides.

Methodology: The study investigated heat shock proteins (HSPs), particularly those with the DNAJ heat shock N-terminal domain, using computer modeling to analyze Aegilops speltoides proteins Aehsp20, Aehsp40, Aehsp70, and Aehsp101. Methodologies included domain-based identification, secondary structure prediction using PSIPRED, and 3D structure determination with software like Swiss-Model and Phyre2.

Results: According to its structural and physiochemical characteristics, TRINITY_ DN8251_c0_g1_i3 (HSP 40) is crucial for protein stability and chloroplast function under heat stress, suggesting at its role in protein folding. This characterization lays the stage for future research focused on functional studies to enhance heat resistance in wheat.

Interpretation: The findings underscore the significance of HSP40s in the development of heat-resilient wheat varieties, suggesting that future efforts should incorporate protein interaction studies, functional assays, and gene editing to transfer stress-resistance traits.

Key words: Aegilops speltoides, Computational tools, Heat shock protein, Protein modeling, Wheat

Copyright © 2026 Triveni Enterprises. All rights reserved. No part of the Journal can be reproduced in any form without prior permission. Responsibility regarding the authenticity of the data, and the acceptability of the conclusions enforced or derived, rest completely with the author(s).