STUDI MOLECULAR DOCKING SENYAWA FLAVONOID HERBA KUMIS KUCING (Orthosiphon stamineus B.) PADA RESEPTOR α-GLUKOSIDASE SEBAGAI ANTIDIABETES TIPE 2
Author(s) -
Indah Wulan Sari,
Junaidin Junaidin,
Dina Pratiwi
Publication year - 2020
Publication title -
jurnal farmagazine
Language(s) - English
Resource type - Journals
eISSN - 2621-8216
pISSN - 2302-4933
DOI - 10.47653/farm.v7i2.194
Subject(s) - chemistry , traditional medicine , flavonoid , medicine , biochemistry , antioxidant
Diabetes Mellitus (DM) is a disease in which the level of sugar (glucose) in the blood is high because the body cannot release or use insulin effectively. Kumis kucing (Orthosiphon stamineus B.) has antidiabetic properties. This study aims to determine whether the flavonoid derivatives in kumis kucing have the potential as an antidiabetic drug-type 2 through the α-glucosidase inhibition mechanism. This type of research is in silico using the molecular docking method. Docking process was performed using Autodock Vina. Molecular docking simulations were carried out to test the potential of flavonoid compounds contained in cat whiskers as antidiabetic drug candidates as natural inhibitors of the αglucosidase enzyme through the parameters of Gibbs free energy values, inhibition constants, hydrogen bonds and amino acid residues. The simulation results show that the flavonoid compound that has the best Gibbs free energy value is 5,6,7,3'-tetramethoxy-4'hydroxy-8-C-prenylflavon of -8.2 Kcal / mol while the Gibbs acarbose free energy value is -8.7 Kcal / mole. The conclusion of this study shows that the flavonoid compounds in cat whiskers are not yet potential to be used as candidates for antidiabetic drug-type 2 in replacing acarbose through the α-glucosidase inhibition mechanism.
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