ArticleMolecular biotechnology2025
Computational Analysis of Albaflavenone Interaction with SlMAPK1 for Drought Resistance in Tomato.
Article in Molecular biotechnology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed.
- MAPK regulates secondary metabolism and abiotic stress in horticultural and medicinal plants.Horticulture research · 2026Article
- Article
- Tomato mitogen-activated protein kinase: mechanisms of adaptation in response to biotic and abiotic stresses.Frontiers in plant science · 2025Review
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Authors and funding
6 authors.
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Abstract
As global agricultural challenges intensify, particularly drought stress, the exploration of innovative strategies for crop resilience has become crucial. This study focuses on the role of the microbial endophyte metabolite Albaflavenone in enhancing drought resistance in tomato (Solanum lycopersicum L.) through the activation of the SlMAPK1 protein in the MAPK pathway. To computationally analyze the interaction between Albaflavenone and SlMAPK1 and to elucidate the potential enhancement of drought tolerance in tomato plants through this interaction. We utilized molecular docking, homology modeling, and molecular dynamics simulations to investigate the binding affinities and interaction dynamics between SlMAPK1 and Albaflavenone. Functional network analysis was employed to examine protein-protein interactions within the MAPK pathway, while the MM-GBSA method was used to calculate binding free energies. Our computational analyses revealed that Albaflavenone exhibited a high binding affinity to SlMAPK1 with a binding energy of - 8.9 kcal/mol. Molecular dynamics simulations showed this interaction significantly stabilized SlMAPK1, suggesting enhanced activity. Specifically, the root mean square deviation (RMSD) of the Albaflavenone-SlMAPK1 complex stabilized at around 3.1 Å, while the root mean square fluctuations (RMSF) indicated consistent amino acid conformations. Additionally, the radius of gyration (R
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