Scholarlink

<p>Mungbean yellow mosaic India virus (MYMIV), the causal agent of yellow mosaic disease in soybean (<i>Glycine max</i> L. Merr.), causes substantial yield losses. This study used targeted metabolomics to profile isoflavonoid accumulation in soybean cultivars with contrasting responses to MYMIV infection. Ultra-performance liquid chromatography coupled with quadrupole time-of-flight electrospray ionization mass spectrometry (UPLC-QToF-ESI-MS/MS) revealed a significant accumulation of isoflavonoids in the highly resistant genotype SL 1074 following viral inoculation. Overexpressed isoflavonoids were subjected to molecular docking against the MYMIV replication initiator protein (Rep), with acetylglycitin exhibited the strongest binding affinity (– 8.5&#xa0;kcal/mol). Molecular dynamics (MD) simulation of the Rep-acetylglycitin complex over 100 nanoseconds demonstrated conformational stability, with root mean square deviation (RMSD) and fluctuation (RMSF) analyses indicating minimal structural deviation. Persistent hydrogen bonding with key catalytic residues (TYR239, CYS241, HIS243, ASP245, ARG232) was observed throughout the simulation. These finding indicates that resistance-associated isoflavonoids, particularly acetylglycitin, may function as naturally occurring inhibitors of MYMIV replication. This study highlights the role of host-derived secondary metabolites in soybean defense against MYMIV and demonstrates the utility of metabolomics-integrated <i>in silico</i> approaches for identifying phytochemical-based strategies to manage viral diseases in crops.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Targeted metabolomics identifies isoflavonoid accumulation in resistant soybean cultivar following MYMIV infection, with acetylglycitin showing strongest binding to viral replication initiator protein

  • 期刊论文

  • 发表日期：

    2025年11月22日

查看全文
  • Dharmappa D. Chavan,
  • Halima Khatoon,
  • Mehulee Sarkar,
  • Satish Kumar Manjhi,
  • Subhrautpal Karmakar,
  • Supradip Saha,
  • Sanjay Kumar Lal,
  • Kajal Kumar Biswas,
  • Anirban Roy

摘要

Mungbean yellow mosaic India virus (MYMIV), the causal agent of yellow mosaic disease in soybean (Glycine max L. Merr.), causes substantial yield losses. This study used targeted metabolomics to profile isoflavonoid accumulation in soybean cultivars with contrasting responses to MYMIV infection. Ultra-performance liquid chromatography coupled with quadrupole time-of-flight electrospray ionization mass spectrometry (UPLC-QToF-ESI-MS/MS) revealed a significant accumulation of isoflavonoids in the highly resistant genotype SL 1074 following viral inoculation. Overexpressed isoflavonoids were subjected to molecular docking against the MYMIV replication initiator protein (Rep), with acetylglycitin exhibited the strongest binding affinity (– 8.5 kcal/mol). Molecular dynamics (MD) simulation of the Rep-acetylglycitin complex over 100 nanoseconds demonstrated conformational stability, with root mean square deviation (RMSD) and fluctuation (RMSF) analyses indicating minimal structural deviation. Persistent hydrogen bonding with key catalytic residues (TYR239, CYS241, HIS243, ASP245, ARG232) was observed throughout the simulation. These finding indicates that resistance-associated isoflavonoids, particularly acetylglycitin, may function as naturally occurring inhibitors of MYMIV replication. This study highlights the role of host-derived secondary metabolites in soybean defense against MYMIV and demonstrates the utility of metabolomics-integrated in silico approaches for identifying phytochemical-based strategies to manage viral diseases in crops.