Structural and functional characterization of pyrabactin resistance 1-like (PYL) proteins and molecular docking analysis provides insight into stress tolerance in Sorghum bicolor

The pyrabactin resistance 1 (PYR1/PYL/RCAR) gene family serves as receptors for abscisic acid (ABA), an essential phytohormone that controls plant growth and stress responses. Further investigation is required to gain a comprehensive understanding of the evolution and role of the PYL gene family in Sorghum bicolor. In this study, the physicochemical properties, structural validation, functional motifs, evolutionary relationships among PYL gene family members, and molecular docking of the PYL proteins with ABA were extensively examined. In the sorghum genome, three distinct PYL receptors were identified: SbPYL2, SbPYL4, and SbPYL8. These receptors were modeled using the SWISS-MODEL and subsequently bound with ABA. The most stable protein–ligand complex was PYL4-ABA, which exhibited the best docking (binding energy ΔG = − 6.8 kcal/mol). This finding demonstrates the potential involvement of the PYL module in the ABA signal transduction pathway, which is crucial for the expression of stress-responsive genes. This research sheds light on the complex interactions between PYL receptors and ABA in controlling the genes in sorghum that respond to stress and offers an understanding of the abiotic stress tolerance mechanisms that can be targeted for crop improvement.