Molecular docking and dynamics data of ligands reported from Sinningia aggregata (Gesneriaceae) against PKC alpha, PKC delta, and MPS1 kinases. These enzymes play key roles in cell signaling and cycle regulation. The computational analysis highlights potential interactions between plant-derived compounds, particularly quinones, and the active sites of these kinases. Molecular dynamics simulations further assess the stability and binding behavior of these complexes, providing insights into their therapeutic potential.