Molecular Docking of Zingiber officinale var. Rubrum Compounds with DDX3X (Dead-Box Helicase 3x-Linked) as Anticancer Compound

Authors

  • Megawati Megawati SMA Unggulan Haf-Sa Zainul Hasan BPPT Genggong, Indonesia
  • Ida Mawadah SMA Unggulan Haf-Sa Zainul Hasan BPPT Genggong, Indonesia
  • Supriadi Supriadi SMA Unggulan Haf-Sa Zainul Hasan BPPT Genggong, Indonesia

Keywords:

Molecular docking, Zingiber officinale, DDX3X target protein, Anticancer agent, Ligand protein interaction

Abstract

Environmental factors, lifestyle, and biological factors cause carcinogenesis and the transformation of normal cells into tumors. Cancer incidence and mortality cases are also increasing gradually. Giving effective anticancer drugs for cancer treatment is one of the main requirements in cancer therapy. Many plants and their products have active anticancer agents. Ginger is considered an essential component with many potential clinical activities. Ginger and its compounds are anti-inflammatory, antioxidant, antimetastatic, and anticancer agents. The anticancer activity of ginger components is reviewed in this article due to its therapeutic nature. This study aimed to explore the anticancer activity of ginger compounds, including (6)-gingerol, (6)-shogaol, (6)-gingerdione, (6)-paradol, and β-bisabolene. The research method was conducted by molecular docking using Pyrex 0.8 software and visualized with Discovery Studio software to determine the type of binding formed with amino acids. All compounds showed activity inhibition of the DDX3X target protein. Molecular docking experiments of the selected compounds showed β-bisabolene and (6)-paradol as the compounds with the most negative binding affinity value and the most robust DDX3X-ligand protein interaction, respectively. Therefore, the studied compounds may be promising leads for selective anticancer agents, particularly skin cancer with DXX3X protein inhibition.

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Published

2024-03-02

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Section

Articles

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