Electronic Theses and Dissertation

Pendahuluan: Enzim ∝-glucosidase merupakan enzim yang berperan dalam pemecahan karbohidrat menjadi glukosa di saluran pencernaan. Penghambatan kerja enzim ∝-glukosidase dapat membantu menurunkan kadar glukosa darah pada penderita diabetes mellitus. Penelitian ini, bertujuan untuk mengetahui senyawa aktif dari minyak nilam Aceh dan menilai aktivitas antidiabetes secara in silico dan in vitro.
Metode: Senyawa aktif yang diidentifikasi dengan GC-MS yang disajikan pada database KNApSAcK. Kemudian senyawa aktif tersebut diuji melalui pendekatan pemodelan molecular yang terdiri dari proses molecular docking terhadap senyawa aktif. Uji aktivitas antidiabetes in vitro dengan penghambatan ∝-glukosidase menggunakan spektrofometri UV-Vis.
Hasil: Simulasi molekuler docking menunjukkan 6 senyawa aktif yang terkandung dalam minyak nilam mempunyai afinitas pengikatan di bawah -7 kkal/mol terhadap penghambatan enzim ∝-glukosidase dan mempunyai kestabilan yang baik pada parameter ikatan hidrogen. Pada konsentrasi sampel 500 ppm ekstrak minyak nilam Aceh murni hanya mampu menghambat 10.16% aktivitas enzim, minyak nilam Aceh fraksi ringan 37.22% dan minyak nilam Aceh fraksi berat 12.73%.
Kesimpulan: Senyawa aktif apigenin coumarylglucoside, rhamnetin, dan ombuin pada minyak nilam Aceh berpotensi sebagai kandidat antidiabetes. Namun, ekstrak nilam tidak mampu menghambat 50% aktivitas enzim ∝-glukosidase pada konsentrasi sampai dengan 500 ppm.

Kata Kunci: Antidiabetes, ∝-glukosidase, In silico, Minyak nilam, Molecular
docking, Pogostemon cablin Benth

Introduction: ∝-glucosidase enzyme plays a crucial role in the breakdown of carbohydrates into glucose in the digestive system. Inhibiting the activity of ∝-glucosidase can help lower blood glucose levels in individuals with diabetes mellitus. This research aims to identify the active compounds from Aceh patchouli oil and evaluated their antidiabetic activity through in silico and in vitro methods. Method: Active compounds were identified using GC-MS and presented in the KNApSAcK database. Subsequently, these active compounds were tested through molecular modeling approaches, including molecular docking, to assess their affinity for ∝-glucosidase inhibition. In vitro antidiabetic activity was evaluated by measuring ∝-glucosidase inhibition using UV-Vis spectrophotometry. Results: Molecular docking simulations revealed that 6 active compounds found in Aceh patchouli oil exhibited binding affinities of less that -7 kcal/mol for ∝-glucosidase inhibition, and they displayed good stability in hydrogen bond parameters. At a sample concentration of 500 ppm, pure Aceh patchouli oil was only able to inhibit 10.16% of enzyme activity, while Aceh patchouli oil light fraction inhibited 37.22% and the heavy fraction inhibited 12.73% of enzyme activity. Conclusion: The active compounds, namely apigenin coumarylglucoside, rhamnetin, and ombuin in Aceh patchouli oil, hold potential as antidiabetic candidates. However, the patchouli oil extract was unable to inhibit 50% of ∝-glucosidase enzyme activity even at concentration up to 500 ppm. Keywords: Antidiabetic, ∝-glucosidase, In silico, Patchouli oil, Molecular docking, Pogostemon cablin Benth