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Computational Insights into Heat Shock Protein in Aegilops speltoides and Triticum aestivum Using 3D Structural Modelling

JAIMEET KAUR*, GUNJAN MUKHERJEE AND RAJESH YOGI
Department of University Institute of Biotechnology, Chandigarh University, Mohali-140 413 (Punjab), India *(e-mail: Jaimeetkaur@yahoo.com; Mobile: 9417532656)
(Received: January 2, 2025; Accepted: February 15, 2025)

ABSTRACT

Wheat, one of the key grain crops globally, is facing challenges due to increasing temperatures around the world. One potential source of heat tolerance is the wheat diploid B genome progenitor Aegilops speltoides. Therefore, the purpose of this study was to evaluate the transcriptome profiles of heat- tolerant Aegilops speltoides acc. Pau 3809, hexaploid wheat cultivars and Triticum aestivum cv. C273. Transcriptome study of As-Pau3809 and cv. C273 showed that there were 94,805 and 65,085 genes in total, respectively. Gene function conservation is implied by the great degree of gene ontology profile homogeneity between the two wheat transcriptomes under molecular, biological and cellular activities. Following investigation on 3 D protein models showed that TRINITY_DN82111_c0_g1_i1 and TRINITY_DN2638_c0_g1_i3 were identified as belonging to HSP90 and showed that A. speltoides and T. aestivum had high structural conservation (RMSD < 0.5 Å). The function of HSP90 in heat stress tolerance was highlighted by molecular dynamics, which verified stable conformations under heat stress with low RMSD and negative energy scores. Key words: Wheat, transcriptome, heat shock protein, gene ontology