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JUDUL:MOLECULAR DOCKING DAN VIRTUAL SCREENING SENYAWA POTENSIAL TANAMAN BAWANG DAYAK (Eleutherine palmifolia (L.) Merr) SEBAGAI ANTIDIABETES
PENGARANG:Fuji Astuty
PENERBIT:UNIVERSITAS LAMBUNG MANGKURAT
TANGGAL:2022-01-04


Diabetes Mellitus is a chronic disease that occurs when the body cannot produce enough insulin or cannot use insulin (insulin resistance) which causes blood glucose levels to rise (hyperglycemia) under normal conditions. Bawang Dayak (Eleutherine palmifolia (L.) Merr) is empirically used as a medicinal plant for various diseases, one of which is diabetes mellitus. This study aimed to examine the potential of Bawang Dayak (E. palmifolia) as a glucokinase inhibitor with parameters such as ?G value and the interaction of amino acid residues with molecular docking as well as pharmacophore studies using pkCSM and SwissADME. In this study, the test compound was simulated against the glucokinase receptor using a comparison compound glibenclamide which is a reference drug to determine its potential as an antidiabetic. The results of molecular docking showed that the test compound (21) (Karwinaphthol B) had potential as antidiabetic based on the results of the lowest ?G value among the other test compounds, which was -8.39 kcal/mol. The test compound (21) (Karwinaphthol B) had an LD50 value of 2.168 mol/kg which was included in the non-toxic category; does not have hepatotoxicity, skin sensitization, and has a good bioavailability value. Interaction of test compound (21) (Karwinaphthol B) on glucokinase receptors on amino acid residues GLN98,VAL62,ARG63,SER64,THR65,PRO66,  GLU67,GLY68,SER69,MET210 , ILE211,TYR214,TYR215,CYS220,GLU221, MET235,  CYS252,LEU451,VAL452,and VAL455.

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