Molecular Docking Metabolit Sekunder Bawang Putih (Allium Sativum) sebagai Antikanker Payudara: Pendekatan In-Silico
Keywords:
Kanker Payudara, NF-κB, Bawang Putih, In-SilicoAbstract
Breast cancer is the second biggest deadly disease after cardiovascular disease. Anticancer is growing from the use of synthetic materials to the use of natural ingredients. Excessive use of anticancer drugs causes cancer cell resistance to drugs. Nuclear Factor Kappa B (NF-κB) is a major signaling pathway involved extensively in cancer growth and metastasis. NF-κB can be used as a method to determined the anticancer properties of a compound. In-silico research was preliminary research that is useful for finding the best results to be done before in vitro and in vivo. The results of this study showed that the metabolite compound γ-glutamyl-phenylalanine was close to the Gibbs energy value of doxorubicin as a comparison ligand with a value of -7.2 kcal/mol. The γ-glutamyl-phenylalanine (γ-glu-phe) compound binded to crystal inducing kinases with hydrophobic bond types and pi bonds with γ-glu-phe. It could be concluded that the in-silico secondary metabolite of garlic that played a role in inhibiting cancer metastasis is γ-glu-phe
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