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All Journal Jurnal Fitofarmaka Indonesia
Izzatul Fikril Mujtahid
Laboratorium Kimia Farmasi, Fakultas Farmasi, Universitas Muslim Indonesia
Biochemistry, Genetics & Molecular Biology Chemistry Medicine & Pharmacology

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Studi Penambatan Molekuler Senyawa Tectoquinone Terhadap Enzim α-Glukosidase Ahmad Najib; Rais Razak; Izzatul Fikril Mujtahid
Jurnal Fitofarmaka Indonesia Vol 10, No 2 (2023): JURNAL FITOFARMAKA INDONESIA
Publisher : Faculty of Pharmacy, Universitas Muslim Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33096/jffi.v10i2.1059

Abstract

The investigation focused on conducting an in silico screening of chemical compounds isolated from Syzygium oblanceolatum (C.B.Rob) to identify potential bioactive compounds that could act as inhibitors of α-Glucosidase. This screening involved tectoquinone as the potential inhibitor for α-Glucosidase and employed the Autodock Vina Docking process. The target enzyme, α-Glucosidase, was used as the receptor with 20 binding sites on the enzyme receptor 1LWJ and the Autodock Vina program was utilized for this purpose. The values of ∆Gbind and the lowest RMSD were determined for each of the 20 targeted binding sites on 1LWJ, representing the free energy change (∆G) resulting from the docking. The docking results demonstrated that the free energy change (∆G) for the 20 targeted binding sites ranged from -6.346 kcal/mol to -9.720 kcal/mol. The most favorable free energy change (∆G) was observed at the 16th binding site with a value of -9.720 kcal/mol, while the highest was recorded at the 18th binding site with a value of -6.346 kcal/mol.
Co-Authors Ahmad Najib Rais Razak