IN SILICO MOLECULAR DOCKING STUDIES OF OVARIAN EXTRACT SINGKARAK LAKE PUFFERFISH (TETRAODON LEIURUS) AGAINST BREAST CANCER
Keywords:Autodock, Breast cancer, In silico, Saxitoxin, Pufferfish
Targets the development of breast cancer chemoprevention by blocking the expression of NaV 1.5 channels and NHE, decreasing the expression of Bcl-2 and Bcl-XL, and increasing the expression of Bax. The ovarian extract Singkarak Lake Pufferfish (Tetraodon leiurus) has the potential as chemoprevention in breast cancer cell lines (MCF-7). This study aimed to analyze the interaction of STX, neoSTX, and dcSTX ligands against NaV1.5, NHE, Bcl-2, Bcl-XL, and Bax receptors. This study used the molecular docking method using STX, neoSTX, and dcSTX ligands against NaV1.5, NHE, Bcl-2, Bcl-XL, and Bax receptors. The result showed that the STX ligand has a more stable interaction with NaV1.5, Bcl-2, Bcl-XL, and Bax receptors with ΔG values of -8.72, -7.32 -6.86, and -6.31 kcal/mol compared to neoSTX and dcSTX ligands. Furthermore, the neoSTX ligand has a more stable interaction with the NHE receptor with an ΔG value of -7.5 kcal/mol compared to the STX and dcSTX ligands. This study shows that the ovarian extract of Singkarak Lake Pufferfish (Tetraodon leiurus) has the potential to be developed as cancer chemoprevention.
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Copyright (c) 2022 Dewi Imelda Roesma, Monica Mulnia Hanif, Djong Hon Tjong, Syaifullah, Putra Santoso, Efrizal
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