Plant antiviral compounds containing pyrazolo [3,4-d] pyrimidine based on the systemin receptor model

Abstract

Introduction: The development of small molecule modulators rooted the plant resistance mechanism represents a compelling strategy for improving plant resistance and fortifying food security. Systemins induced by wounds can activate a wide range of plant resistance responses, but compounds that regulate the systemin signaling pathway have yet to be found. Objectives: This study aimed to provide a strategy for the development of small molecule modulators based on virtual screening of systemin receptors. Methods: A systemin receptor model was established for virtual screening, leading to the identification of chemical structure with high binding affinity through molecular docking. Subsequently, the synthesized compound underwent evaluation for its potential to enhance plant resistance against viruses through frictional inoculation. The underlying mechanism of the target compound was analyzed using proteomics. Results: Through virtual screening, a promising active compound, F1, was identified and further optimized. Molecular docking showed that they had the ability to bind SR160. Some of the targeted compounds exhibited potential in enhancing plant resistance against Tobacco mosaic virus (TMV) and Cucumber mosaic virus (CMV). Notably, compound F26 showed satisfactory activity against TMV with an EC50 value of 70.6 μg/mL. The analysis of plant response following treatment with F26 indicated that it may reinforce the plant’s defense mechanisms against viruses by augmenting the wound signaling pathway.

Keywords

• Defense response
• Novel agrochemical
• Pyrazolo[3,4-d] pyrimidine
• Hydrazine
• Virtual screening
• Systemin receptor