Studi In Silico Senyawa Methyl 4-hydroxycinnamate Sebagai Aktivator P53 pada Kanker Serviks Melalui Pendekatan Molecular Docking

Putri Nabila Thalib, Akram La Kilo, Weny J.A Musa, Yuszda K. Salimi, La Alio, La Ode Aman

Abstract


Cervical cancer is one of the cancers with a high mortality rate in women, especially those tied to HPV infection which causes p53 inactivation. This study aims to evaluate the potential of methyl 4-hydroxycinnamate as a p53 activator in cervical cancer through an In Silico approach using molecular docking. The test ligand and p53 protein (PDB ID: 4HJE) were prepared before the docking simulation was performed. The results showed that methyl 4-hydroxycinnamate had a binding affinity value of -5.3 Kcal/mol, the same as the standard ligand of eprenetapopt. The interactions formed involve residues His:233, Arg:202, Ser:96 and Glu:221 through conventional hydrogen bonds and carbon hydrogen bonds. These results suggest that methyl 4-hydroxycinnamate has the potential to be a candidate for p53 activator because it is able to bind steadily to the target protein.

Keywords


Cervical cancer; p53 protein; Soursop leaves; Molecular docking; In Silico

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DOI: https://doi.org/10.37905/je.v21i1.38773

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