Predicted Molecular Interactions of Selected Trifolium Pratense L. Phytochemicals with H-Ras p21 Protein

Members of the Fabaceae (Leguminosae) family are widely distributed flowering plants with considerable agricultural and pharmacological importance. Among them, Trifolium pratense L. is recognized as a rich source of bioactive phytochemicals, particularly isoflavones such as biochanin A and formononetin, as well as phenolic acids including caffeic, rosmarinic, and chlorogenic acids. These compounds have been associated with antioxidant, anti-inflammatory, and potential anticancer-related biological activities in previous studies. In the present study, selected phytochemicals reported from Trifolium pratense L. were evaluated for their predicted molecular interactions with the H-Ras p21 protein by using molecular docking analysis. The crystal structure of the target protein (Pdb id: 5P21) was obtained from the Protein Data Bank, and docking simulations were performed to estimate binding affinity and possible interaction profiles of the selected ligands. The antioxidant activity data were included to support the biological relevance of the investigated phytochemicals. The computational findings suggest that several compounds from Trifolium pratense L. may exhibit favorable binding interactions with H-Ras p21 protein. However, these results represent preliminary in silico predictions and do not directly indicate therapeutic efficacy or inhibitory activity. Therefore, further experimental validation, including in vitro and in vivo studies, is required to confirm the biological significance of these interactions. This study contributes to the growing literature on plant-derived bioactive compounds and their potential applications in computational cancer research.