Molecular Docking Study of Takokak Plants (Solanum torvum) to α-glucosidase as Antidiabetic Type-2

Nanda Safira Yulia Putri, Darajatun Islami, Adira Tatus Tresna, Laila Nihayatul Hidayah, Nurul Jadid Mubarakati, Gatra Ervi Jayanti

Abstract


Diabetes mellitus is a serious chronic disease that occurs when the pancreas does not produce enough insulin (a hormone that regulates blood sugar or glucose), or when the body cannot effectively use the insulin it produces. The fruit of the takokak plant (Solanum torvum) is widely used in traditional medicine systems to treat diabetes mellitus. This study aimed to analyze the interaction of the active compound in takokak plant against α-glukosidase as a type-2 antidiabetic. This research method uses molecular docking analysis run using PyRx Software and visualized with Biovia Discovery Studio. Molecular docking analysis was aimed at looking at the binding energy between -glucosidase (PDB ID: 3W37) and the active compound of takokak plant consisting of Methyl caffeate (CID 689075), Phytol (CID 5280435), Neophytadiene (CID 985) and Hexadecanoic acid (CID 10446). The data obtained in the form of Root Mean Square Diviation (RMSD), binding affinity and amino acid residues. The results of this study indicate that there are four active compounds that have antidiabetic activity in takokak plants. The results of molecular docking compound analysis showed that methyl caffeate was the best compound compared to the control in inhibiting α-glukosidase with a binding affinity value of -6.8 (kcal/mol) so that the takokak plant could be recommended as a type-2 antidiabetic drug.

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DOI: https://doi.org/10.35334/iciksa.v0i0.65

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Jurnal J-Pen Borneo:Jurnal Ilmu Pertanian

Faculty of Agriculture, University Of Borneo Tarakan

Tarakan city, North Borneo Province, Indonesia