SIMULASI DOCKING SENYAWA AKTIF DAUN BINAHONG SEBAGAI INHIBITOR ENZYME ALDOSE REDUCTASE

  • Andrio Suhadi
  • Rizarullah Rizarullah
  • Feriyani Feriyani
Keywords: binahong leaves, molecular docking, zopolrestat. oleonolic acid , ursolic acid

Abstract

The metabolic syndrome is the cause of death around the world caused by diabetic mellitus. Binahong leaf is a kind of plant that is widely used to treat various diseases. This study aims to investigate the inhibitory activity of binahong leaves compound in inhibiting the aldose reductase which has role of converting glucose into sorbitol by docking simulation. The compound of binahong leaves consists of ursolic acid, vitexin, and oleonolic acid (ligand testing). These compound were taken from PubChem site, while aldose reductase enzyme (receptor) was obtained from the world protein bank with PDB 2HV5 code. This study incorporated in silica technique by using Auto dock vina software, Discovery Studio and Ligplot as visualization. The result of grid box optimization by redocking comparative ligand was 0.7Å RMSD. The docking result showed that the free Gibbs energy (∆G) of aldose reductase was (-11.7), Vitexin (-8.3), Ursolic acid (-7.7) and Oleonolic acid (-8.6). These value suggested that there was a stable inhibition reaction from the binahong leaves compound and the comparative ligand. Based on the Lipinski Rule, the composition of binahong leaves compound meets the Lipinski Rule criteria which means this medicine can be used orally except for vitexin and comparative ligands of zopolrestate which exceed the number of the atom.

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Published
2019-11-30
How to Cite
1.
Suhadi A, Rizarullah R, Feriyani F. SIMULASI DOCKING SENYAWA AKTIF DAUN BINAHONG SEBAGAI INHIBITOR ENZYME ALDOSE REDUCTASE. sel [Internet]. 30Nov.2019 [cited 3Jul.2020];6(2):55-. Available from: http://ejournal2.litbang.kemkes.go.id/index.php/sel/article/view/1651