Fajrin, Alifiah Nur and Yunita Eka Puspitasari,, S.Pi, MP and Dr. Ir. Titik Dwi Sulistiyati,, MP (2022) Analisis In silico Senyawa Bioaktif Ekstrak Metanol Daun Mangrove Pedada (Sonneratia alba) J.E. Smith sebagai Inhibitor α-glukosidase dan α-amilase. Sarjana thesis, Universitas Brawijaya.
Abstract
Sonneratia alba merupakan salah satu jenis mangrove yang memiliki manfaat untuk kesehatan. Daun mangrove S. alba secara tradisional sudah digunakan untuk mengobati berbagai macam penyakit. Kandungan senyawa bioaktif S. alba dapat dimanfaatkan sebagai pangan fungsional. α-glukosidase dan α-amilase merupakan agen yang berperan dalam pemecahan karbohidrat menjadi senyawa sederhana agar dapat diabsorbsi oleh sistem pencernaan tubuh. Enzim α-glukosidase dan α-amilase tersebut mengontrol kadar gula darah dalam tubuh pada penderita diabetes dengan menghambat kinerja enzim tersebut agar tidak terjadi kenaikan kadar gula darah yang berlebihan dalam tubuh. Akarbosa merupakan bahan sintetik yang digunakan sebagai obat diabetes. Namun, obat tersebut memiliki efek samping jangka panjang pada gangguan gastrointestinal. Penggunaan bahan alami diperlukan sebagai alternatif pengganti bahan sintetik agar tidak memberikan efek samping kepada pengonsumsi obat. Kandungan senyawa bioakif pada S. alba diharapkan memiliki kemampuan dalam penghambatan aktivitas α-glukosidase dan α- amilase. Tujuan dari penelitian ini adalah untuk mengetahui senyawa bioaktif dari esktrak metanol daun pedada (S. alba) mampu menghambat aktivitas enzim α- glukosidase dan α-amilase secara in silico. Penelitian ini dilakukan pada bulan Februari sampai Juni 2022. Metode yang digunakan dalam penelitian ini adalah metode deskriptif. Penelitian ini dilakukan untuk mengidentifikasi senyawa bioaktif dengan analisis LC-HRMS. Analisis in silico menggunakan komputer dan beberapa perangkat lunak. Perangkat lunak yang digunakan yaitu PyRx dan Discovery Studio 2021. Hasil penelitian didapatkan yaitu pada S. alba memiliki kandungan senyawa bioaktif dengan jumlah enam senyawa, yaitu vitexin, orientin, luteolin, ellagic acid, reserpine, dan oleanolic acid. Hasil binding affinity terhadap makromolekul enzim α-glukosidase yaitu pada luteolin (-8,9 kkal/mol), ellagic acid (-8,8 kkal/mol), vitexin (-8,7 kkal/mol), orientin (-8,7 kkal/mol), reserpine (-7,9 kkal/mol), dan oleanolic acid (-8,7 kkal/mol). Nilai binding affinity vitexin, orientin, luteolin, ellagic acid, dan oleanolic acid lebih potensial menghambat α- glukosidase dibandingkan dengan alpha-D-glucopyranose (-5,6 kkal/mol) sebagai ligan native dan akarbosa (-8,6 kkal/mol). Kemudian, hasil nilai binding affinity terhadap makromolekul enzim α-amilase yaitu pada oleanolic acid (-9,3 kkal/mol), orientin (-9,2 kkal/mol), vitexin (-9,0 kkal/mol), luteolin (-8,4 kkal/mol), ellagic acid (-8,2 kkal/mol), dan reserpine(-8,6 kkal/mol). Nilai binding affinity vitexin, orientin, luteolin, ellagic acid, reserpine, dan oleanolic acid lebih potensial menghambat α-amilase dibandingkan dengan 3,5,7-trihydroxy-2- (3,4,5trihydroxyphenyl)-4h-chromen-4-one (-7,9 kkal/mol) dan 2-acetamido-2- deoxy-beta-D-glucopyranose (-5,6 kkal/mol) sebagai ligan native dan akarbosa (- 8,2 kkal/mol) sebagai kontrol.Adanya ikatan yang kuat dan stabil yang dipengaruhi oleh ligan yang berikatan dengan makromolekul α-glukosidase dan α-amilase atau residu asam amino yang diikat oleh ligan dan jenis ikatan yang terbentuk pada residu asam amino. Sehingga dapat disimpulkan vitexin, orientin, luteolin, ellagic acid, reserpine, dan oleanolic acid mampu menginhibisi enzim α-glukosidase secara non-kompetitif dan vitexin, orientin, luteolin, ellagic acid, reserpine, dan oleanolic acid menginhibisi α-amilase secara kompetitif.
English Abstract
Sonneratia alba is a type of mangrove that has health benefits. Mangrove leaves of S. alba have traditionally been used to treat various diseases. The content of bioactive compounds of S. alba can be used as functional food. α- glucosidase and α-amylase are agents that play a role in the breakdown of carbohydrates into simple compounds so that they can be absorbed by the body's digestive system. The α-glucosidase and α-amylase enzymes control blood sugar levels in the body in diabetics by inhibiting the performance of these enzymes so that there is no excessive increase in blood sugar levels in the body. Acarbose is a synthetic material used as a diabetes drug. However, the drug has long-term side effects on gastrointestinal disorders. The use of natural ingredients is needed as an alternative to synthetic materials so as not to give side effects to drug users. The content of bioactive compounds in S. alba is expected to have the ability to inhibit the activity of α-glucosidase and α-amylase. The purpose of this study was to determine the bioactive compound from methanol extract of pedada leaf (S. alba) able to inhibit the activity of α- glucosidase and α-amylase enzymes in silico. This research was conducted from February to June 2022. The method used in this research is descriptive method. This research was conducted to identify bioactive compounds by LC-HRMS analysis. In silico analysis using a computer and software. The software used is PyRx and Discovery Studio 2021. The results showed that S. alba contained six bioactive compounds, namely vitexin, orientin, luteolin, ellagic acid, reserpine, and oleanolic acid. The binding affinity results for α-glucosidase enzyme macromolecules were luteolin (- 8.9 kcal/mol), ellagic acid (-8.8 kcal/mol), vitexin (-8.7 kcal/mol), orientin (-8, 7 kcal/mol), reserpine (-7.9 kcal/mol), and oleanolic acid (-8.7 kcal/mol). The binding affinity values of vitexin, orientin, luteolin, ellagic acid, and oleanolic acid have more potential to inhibit α-glucosidase compared to alpha-Dglucopyranose (-5.6 kcal/mol) as native and acarbose ligands (-8.6 kcal/mol). ). Then, the results of binding affinity values for the macromolecules of the α- amylase enzyme were oleanolic acid (-9.3 kcal/mol), orientin (-9.2 kcal/mol), vitexin (-9.0 kcal/mol), luteolin ( -8.4 kcal/mol), ellagic acid (-8.2 kcal/mol), and reserpine (-8.6 kcal/mol). The binding affinity values of vitexin, orientin, luteolin, ellagic acid, reserpine, and oleanolic acid have more potential to inhibit α-amylase compared to 3,5,7-trihydroxy-2-(3,4,5trihydroxyphenyl)-4h-chromen-4- one. (-7.9 kcal/mol) and 2-acetamido-2-deoxy-beta-D-glucopyranose (-5.6 kcal/mol) as native ligands and acarbose (-8.2 kcal/mol) as controls. A strong and stable bond was influenced by the binding between ligand and receptor such as α-glucosidase and α-amylase or the binding between ligand and amino acid residues. It can be concluded that vitexin, orientin, luteolin, ellagic acid, reserpine, and oleanolic acid were able to inhibit α-glucosidase noncompetitively and vitexin, orientin, luteolin, ellagic acid, reserpine, and oleanolic acid were able to inhibit α-amylase competitively.
| Item Type: | Thesis (Sarjana) |
|---|---|
| Identification Number: | 0522080080 |
| Subjects: | 300 Social sciences > 333 Economics of land and energy > 333.9 Other natural resources > 333.95 Biological resources > 333.956 Fishes |
| Divisions: | Fakultas Perikanan dan Ilmu Kelautan > Teknologi Hasil Perikanan |
| Depositing User: | soegeng sugeng |
| Date Deposited: | 01 Sep 2022 03:17 |
| Last Modified: | 01 Sep 2022 03:17 |
| URI: | http://repository.ub.ac.id/id/eprint/193896 |
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