Network pharmacology, molecular docking, and experimental validation to unveil the molecular targets and mechanisms of compound fuling granule to treat ovarian cancer

HIGHLIGHTS

SUMMARY

    The biomarkers and potential targets via which CFG affected OC could be mapped on the target-pathway networks, and the mechanisms of CFG underlying OC could be visually understood. Baicalin formed six hydrogen_bonds with the amino_acid residues LYS-66, LYS-22, VAL-127, LEU128, ARG67, and SER71 which formed the most stable complex with CDK2. Ignavine formed five hydrogen_bonds with amino_acid residues LYS57, ASR69, VAL70, LEU68, and LEU67; lactiflorin formed four hydrogen_bonds with LYS22, ASP131, LEU128, and ARG67; neokadsuranic acid B formed three hydrogen_bonds with LYS22, LYS66, and ARG67; and deoxyaconitine formed one hydrogen_bond . . .

     

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