Analysis of Potential Poly (ADP-Ribose) Polymerase 2 (PARP2) Inhibitor in Nyale Worm (Eunice sp.) Extract for Ovarian Cancer: An In Silico Approach doi.org/10.26538/tjnpr/v6i6.16
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Abstract
Cancer is an umbrella term for a large group of diseases that are characterized by abnormal cell growth and adjacent tissue or organ invasion. One of the most common cancers in Indonesia is ovarian cancer. Recently, PARP enzyme inhibitor used as a therapy for cancer, including ovarian cancer, has become more common. Apart from the standard PARP inhibitor drug, natural resources are also found to have high potential for cancer therapy. Marine biotas are known for their capability to produce biomolecules which can inhibit the cell mitosis of their rivals or predators. One of the marine biotas that are commonly consumed in Lombok Island is Nyale worm. This research aimed to analyze the potential PARP, particularly PARP2, inhibitor compounds in Nyale worm extract for ovarian cancer by using molecular docking with in silico approach. Compounds identification was conducted by using gas chromatography-mass spectrometry (GC-MS) and molecular docking was done with PyRx v.0.8 software. There were three potential PARP2 inhibitor compounds, tricyclo[10.2.1.02,11]pentadeca-4,8-diene, tricyclo[8.6.0.02,9]hexadeca-3,15-diene, and linoleic acid. The binding affinity energy of these three compounds were lower compared with that of the native ligand 3-aminobenzamide. The lower value of the energy means greater molecular binding stability and PARP2 inhibition mechanism.
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