Loveleen Kaur is a bioinformatics professional with a Master’s degree in Bioinformatics from Guru Nanak Dev University, Amritsar. Her expertise includes computational analysis, protein databases, Python, R, and SQL. She has contributed to publications on protein structure and protein family databases and serves as Treasurer of the APBioNet Student Council.

In Silico Molecular Docking Analysis to Predict the Role of different mutations Metal Binding in YSL15 in Triticum Aestivum   Iron is an essential micronutrient for plants, it plays crucial role in various physiological processes. The Yellow Stripe-Like 15 (YSL15) protein in Triticum aestivum (wheat) functions as a transporter involved in metal ion uptake and homeostasis, particularly iron. This study aimed to investigate the impact of different mutations in the metal-binding region of YSL15 on its ability to bind metal ions using in silico molecular docking analysis. Wild-type and mutant YSL15 protein structures were modeled, and their interactions with metal ions were simulated to evaluate binding affinity and stability. The results indicated that mutations at key metalcoordinating residues significantly reduced the binding affinity of YSL15 for metal ions, suggesting a potential loss of transporter function. Structural analysis revealed that these mutations disrupted critical coordination sites, leading to altered binding conformations. These findings provide molecular insights into how specific amino acid changes can impair YSL15 function, potentially affecting iron uptake efficiency in wheat. The findings agree with previous studies in other plants, like rice and Arabidopsis, where similar YSL proteins were found to play roles in metal transport. However, some amino acids, such as Phe17 and Gly22, may be especially important in wheat, suggesting that wheat YSL15 has adapted slightly different features. This work therefore highlights specific amino acids in wheat YSL15 protein which are crucial for metal binding. This research lays the foundation for further experimental validation and offers valuable information for breeding and genetic engineering strategies aimed at improving metal nutrition in crops.