Bioinformatics approach for potential inhibitory of pyrogallol in ovarian cancer by Cdc۲۵A targeting

Introduction: Pyrogallol, one of the natural polyphenols, was known to have anti-inflammatory andantitumor effects in some cancers. However, the underlying antitumor mechanisms of pyrogallol, still remainunclear so far. Cell division cycle ۲۵ A (Cdc۲۵A), is one of the most vital cell cycle regulators, and positivelycontrols the functions of CDKs that lead to cell cycle progression. Overexpression of Cdc۲۵A promotestumorigenesis, and is observed in ovarian cancer. Therefore, the present study aimed to determine thepotential therapeutic effect of pyrogallol for Cdc۲۵A inhibition.Methods: Pyrogallol structure was drawn in the HyperChem software. Cdc۲۵A protein structure wasretrieved from the RCSB PDB database. For molecular docking and preparation of ligand and target protein,Autodock ۴.۲ was used. Cdc۲۵A protein structure docking studies were performed with this software.Nonpolar hydrogen atoms were assembled and fixed in ligand.Result: According to the molecular docking studies, pyrogallol showed high binding energies with Cdc۲۵Aprotein, with maximum values of -۳۴.۲۲ kJ/mol. pyrogallol mostly interacts with H, R, K, S,G, I amino acids.Conclusion: This evaluation concludes that pyrogallol may be used as an anticancer drug for ovarian canceras it can suppress Cdc۲۵a proteins and may stop the cell proliferation in cancers. Pyrogallol is recommendas an effective, safe, and commercial drug to inhibit tumor progression in patients with ovarian cancer.

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Key words: Pyrogallol ، Cdc۲۵A ، ovarian cancer ، in silico