Studi Penambatan Molekuler In Silico Senyawa Bioaktif Zingiber officinale terhadap Reseptor 3ERT pada Kanker Payudara
DOI:
https://doi.org/10.59841/jumkes.v4i1.3577Keywords:
Breast Cancer, Zingiber Officinale, Molecular Docking, 3ERT, GingerAbstract
Breast cancer represents a significant public health challenge in Indonesia, accounting for the highest incidence with 68,858 new cases annually (16.6%). This study aimed to evaluate the therapeutic potential of bioactive compounds derived from Zingiber officinale (ginger) as anticancer agents, specifically against estrogen receptor-positive (ER+) breast cancer through the inhibition of estrogen receptor alpha (ERα). Utilizing molecular docking simulations, six active ginger compounds were assessed against the 3ERT receptor. Dihydrocurcumin and tetrahydrocurcumin were identified as the most promising candidates, exhibiting superior binding affinities of -8.091 kcal/mol and -7.565 kcal/mol, respectively, indicative of stable ligand-receptor interactions. A complementary in silico pharmacokinetic evaluation using pkCSM for zingerone, dihydrocurcumin, and tetrahydrocurcumin revealed favorable ADMET profiles, characterized by good intestinal absorption, adequate tissue distribution, low toxicity, and non-mutagenicity. Collectively, these findings underscore the significant potential of these ginger-derived compounds as promising lead candidates for the development of natural product-based breast cancer therapies
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