Skrining Virtual Senyawa Antidiabetes Dari Tanaman Obat Keluarga (Toga) Di Indonesia Berbasis Inhibisi Alfa-Amilase

Fauziyah, Fauziyah (2022) Skrining Virtual Senyawa Antidiabetes Dari Tanaman Obat Keluarga (Toga) Di Indonesia Berbasis Inhibisi Alfa-Amilase. Masters thesis, Institut Teknologi Sepuluh Nopember.

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Abstract

Tanaman obat keluarga (TOGA) di Indonesia dapat digunakan sebagai alternatif pengobatan diabetes melitus. Salah satu pendekatan untuk mengobati diabetes dengan menurunkan penyerapan glukosa melalui penghambatan kinerja enzim alfa-amilase menggunakan senyawa bioaktif TOGA. Penelitian ini melalui pendekatan metode molecular docking menggunakan perangkat lunak PyMol, Autodock Vina PyRx, dan Biovia Discovery Studio. Hasil analisa membuktikan bahwa 9 dari 20 senyawa bioaktif TOGA terpilih dalam penelitian ini memiliki nilai afinitas yang lebih tinggi dibandingkan obat komersial antidiabetes, yaitu acarbose (-8,2). Masing-masing senyawa tersebut adalah withangulatin-A dari Physalis angulata (-9,7), neoandrographolide dari Andrographis paniculata (-9,4), lochnerine dari Catharanthus roseus (-9,2), dihydroquercetin dari Cassia siamea (-9,2), yohimbine dari Peperomia pellucida (-9,0), robinetinidol dari Eucalyptus globulus labil (-8,7), 14-deoxyandrographolide dari Andrographis paniculata (-8,7), astragalin dari Gynura procumbens (-8,6), dan graminone-B dari Imperata cylindrica (-8,4). Residu asam amino yang terbentuk melalui ikatan non-kovalen pada 9 senyawa bioaktif TOGA tersebut memiliki kesamaan dengan residu asam amino acarbose. Hasil ini menunjukkan bahwa sebanyak 9 senyawa bioaktif TOGA terpilih memiliki potensi sebagai antidiabetes melalui inhibisi alfa-amilase dengan senyawa paling berpotensi yaitu withangulatin-A dari Physalis angulata.
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Family medicinal plants (TOGA) in Indonesia can be used as an alternative treatment for diabetes mellitus. One approach to treating diabetes by reducing glucose absorption is by inhibiting the mechanism of the alpha-amylase enzyme using the bioactive compound TOGA. This research was performed by molecular docking method using the PyMol, Autodock Vina PyRx, and Biovia Discovery Studio software. The results of the analysis proved that 9 of the 20 TOGA bioactive compounds selected in this study had a higher affinity value than the commercial anti-diabetic drug, namely acarbose (-8.2). Each of these compounds is withangulatin-A from Physalis angulata (-9.7), neoandrographolide from Andrographis paniculata (-9.4), lochnerine from Catharanthus roseus (-9.2), dihydroquercetin from Cassia siamea (-9.2 ), yohimbine from Peperomia pellucida (-9.0), robinetinidol from Eucalyptus globulus labil (-8.7), 14-deoxyandrographolide from Andrographis paniculata (-8.7), astragalin from Gynura procumbens (-8.6), and graminone-B from Imperata cylindrica (-8.4). The amino acid residues formed through non-covalent bonds in the 9 TOGA bioactive compounds have similarities to the acarbose amino acid residues. These results indicate that as many as 9 selected TOGA bioactive compounds have potential as antidiabetics through alpha-amylase inhibition with the most potent compound by withangulatin-A from Physalis angulata

Item Type:	Thesis (Masters)
Uncontrolled Keywords:	Alpha-amylase, Binding affinity, Diabetes mellitus, Glucose, Alfa-amilase, Afinitas Ikatan, Diabetes melitus, Glukosa
Subjects:	Q Science > QH Biology > QH301 Biology Q Science > QP Physiology > QP624 Molecular biology.
Divisions:	Faculty of Science and Data Analytics (SCIENTICS) > Biology > 46101-(S2) Master Thesis
Depositing User:	Fauziyah Fauziyah
Date Deposited:	07 Feb 2023 06:37
Last Modified:	07 Feb 2023 06:37
URI:	http://repository.its.ac.id/id/eprint/96346

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