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PENAMBATAN ISOLAT FLAVONOID GENUS ARTOCARPUS TERHADAP RESEPTOR NF- kβ

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ABSTRACT DOCKING ISOLAT FLAVONOID FROM GENUS ARTOCARPUS INTO RESEPTOR NF- kβ Abraham Charis Lizki NIM: 1241001 Molecular docking is a comprehensive method to predict noncovalent binding of small molecules (ligand) of elucidated active compounds to final receptor. The binding show possibility of metabolism of ligand related to physiology and action of isolated chemical to the receptor. Docking of fifty three isolates from genus artocarpus (as ligand) with Nuclear Factor-kappa Beta (NF-kβ) (as receptor/protein target), has been done to study its binding ability for description of biochemical activity interactions. The active compounds used are isolated from A. altilis, A. champeden, A. communis, A. elasticus, A. heterophyllus, A. integrifolia, A. lanceifolius, A. rigida obtained through the study of literature downloaded from the National Center for Biotechnology Information (NCBI) Pubchem. NF-kβ is the receptor responsible for the regulation and immune response in cell. The research is using PyRx and AutoDock Vina method control software. The result of a one-way ANOVA test showed Fcalculated>Ftable,as well as great value for p = 0.000 lower than α = 0.005 explains that the hypothesis (H0) was rejected (p<α), and we can conclude there is no difference tethering ability of flavonoids artocapus isolates into NF-kβ. The highest binding affinity score is owned by Engeletin (-8,9333 kcal/mol), followed by artonol C (-8,4111 kcal/mol) and artonol D (-8,2444 kcal/mol). Thus all three of these three ligands can be used as candidates in further research in the antioxidant field. Keywords: Docking, Artocarpus, NF-kβ, PyRx, AutoDock Vina.