MOLECULAR DOCKING OF 2-HYDROXYCHRYSENE AS JAK2 RECEPTOR INHIBITORS IN BREAST CANCER
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Abstract
Laportea aestuans is a plant that has anti-carcinogenic potential. The antioxidant activity in this plant can help protect cells from damage that can cause the development of cancer by activating the apoptosis pathway in cancer cells and inhibiting protein kinase activity, there by inhibiting the signaling pathway from the cell membrane to the cell nucleus. The aim of this research is to find potential anticancer compounds targeting the JAK2 receptors. JAK2 has become a significant target in myeloproliferative disorders and is increasingly relevant in solid tumors like breast cancer. In silico molecular docking was carried out by optimizing the 2 and 3 dimensional chemical structure, validating the method and docking two receptors, namely the JAK2 protein (PDB code 6VGL) with the compound 2-Hydroxychrysene and the comparison as an positive control is ruxolitinib. Based on research results, 2-Hydroxychrysene compounds can inhibit the target proteins of breast cancer. The ∆G binding value of 2-Hydroxychrysene compounds in the JAK2 signaling pathway is -7,77 kcal/mol and the ruxolitinib is -7,36 kcal/mol.
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