Analisis In Silico Senyawa Bioaktif Ekstrak Etil Asetat Daun Mangrove Pedada (Sonneratia alba J.E. Smith) Sebagai Inhibitor Enzim α-Glukosidase dan α-Amilase

Tampubolon, Hezkiel Oktorully and Yunita Eka Puspitasari, S.Pi, MP and Dr. Ir. Hardoko, MS (2022) Analisis In Silico Senyawa Bioaktif Ekstrak Etil Asetat Daun Mangrove Pedada (Sonneratia alba J.E. Smith) Sebagai Inhibitor Enzim α-Glukosidase dan α-Amilase. Sarjana thesis, Universitas Brawijaya.

Abstract

Salah satu mangrove yang memiliki potensi sebagai obat yakni mangrove pedada (Sonneratia alba J.E. Smith).Pada saat ini pemanfaatan tumbuhan mangrove sebagai obat tradisional untuk berbagai penyakit mulai digunakan, termasuk untuk menangani penyakit diabetes, karena tumbuhan tersebut memiliki kandungan senyawa kimia seperti senyawa golongan alkaloid, steroid, triterpen, senyawa fenolik, flavonoid, carotenoid, saponin, tanin, asam amino, senyawa lipid, polifenol. Diabetes mellitus (DM), merupakan kumpulan gejala yang timbul pada seseorang akibat tubuh mengalami gangguan disebabkan oleh sekresi hormon insulin tidak adekuat atau fungsi insulin terganggu (resistensi insulin) atau justru gabungan dari keduanya. Pengontrolan kadar glukosa postprandial dapat dilakukan dengan penundaan absorpsi glukosa dalam tubuh, dengan cara menghambat enzim hidrolisis karbohidrat seperti α-amilase dan α-glukosidase pada organ pencernaan. Penghambatan enzim α-glukosidase dan α-amilase mengakibatkan enzim tidak mampu mengubah karbohidrat kompleks menjadi gula sederhana untuk diserap tubuh. Sehingga dapat mengurangi peningkatan kadar glukosa postprandial pada penderita diabetes. Senyawa yang dapat menghambat aktivitas enzim α-glukosidase merupakan senyawa metabolit sekunder seperti alkaloid, flavonoid dan fenol. Pengobatan yang diberikan pada pasien diabetes mellitus umumnya berupa politerapi yang terdiri dari dua atau lebih obat dengan efek hipoglikemik, hingga rata-rata diresepkan empat jenis obat dalam sehari untuk setiap pasien agar kadar glukosa dapat terkontrol dengan baik. Penggunaan banyak obat dalam jangka panjang dapat menyebabkan ketidakpatuhan pada pasien meningkat. Selain itu, juga terjadi peningkatan terjadinya interaksi obat dan efek samping, serta peningkatan biaya yang harus dikeluarkan oleh pasien. Akibatnya banyak pasien yang kemudian mencari alternatif pengobatan lainnya seperti dengan menggunakan tumbuhan obat. Penelitian ini dilakukan dengan tujuan untuk mengidentifikasi kandungan senyawa yang ada pada daun mangrove pedada (Sonneratia alba J.E. Smith) secara In Silico. Analisis In Silico adalah sebuah metode penelitian dengan memanfaatkan teknologi yakni melalui teknik komputasi dan database untuk mengembangkan penelitian lebih lanjut. Nantinya akan diketahui senyawa yang berpotensi dalam menghambat enzim α-glukosidase dan enzim α-amilase dengan dilihat pada nilai binding affinity. Metode yang digunakan dalam penelitian ini adalah metode deskriptif, dimana tahapan pada penelitian meliputi preparasi sampel, ekstraksi, analisis kadar air, analisis kadar logam, analisis LC-HRMS dan analisis in silico melalui molecular docking. Analisis In Silico bertujuan untuk memprediksi, memberi hipotesis dengan cara melakukan docking pada makromolekul enzim dengan ligan senyawa bioaktif. Analisis In Silico menggunakan 4 program yakni Autodock Vina, Open Babel, PyRx dan Discovery Studio 2021. Pada hasil identifikasi senyawa bioaktif daun mangrove pedada (Sonneratia alba J.E. Smith) menggunakan LC-HRMS yang dilakukan terdapat 6 senyawa bioaktif yang berpotensi sebagai antidiabetes yakni yakni Apigenin, Diosmetin, Luteolin, Reserpine, Oleanolic acid dan Ursolic acid. Dari hasil molecular docking makromolekul enzim α-glukosidase dengan ligan didapat yakni, ligan native 2-acetamido-2-deoxy-beta-D-glucopyranose (-5,9 kkal/mol), ligan kontrol acarbose (-7,8 kkal/mol) dan metformin (-5,0 kkal/mol) dan ligan uji apigenin (-8,6 kkal/mol), diosmetin (-8,0 kkal/mol), luteolin (-8,4 kkal/mol), reserpine (-8,4 kkal/mol), ursolic acid (-8,5 kkal/mol), oleanolic acid (-8,8 kkal/mol). Dan dari hasil molecular docking makromolekul enzim α-amilase dengan ligan didapat yakni, ligan native 2-acetamido-2-deoxy-beta-D-glucopyranose (-5,7 kkal/mol) dan 3,5,7-trihydroxy-2-(3,4,5trihydroxyphenyl)-4h-chromen-4-one (-8,4 kkal/mol) dan ligan kontrol acarbose (-8,4 kkal/mol) dan metformin (-4,6 kkal/mol) dan ligan uji yakni apigenin (-8,4 kkal/mol), diosmetin (-8,6 kkal/mol), luteolin (-8,4 kkal/mol), reserpine (-8,6 kkal/mol), ursolic acid (-9,4 kkal/mol), oleanolic acid (-9,3 kkal/mol). Berdasarkan dari hasil penelitian ini didapat kesimpulan bahwa senyawa yang berpotensi untuk menghambat enzim α-glukosidase yakni Apigenin, Diosmetin, Luteolin, Reserpine, Ursolic acid, Oleanolic acid. Sementara untuk senyawa yang berpotensi untuk menghambat enzim α-amilase yakni Reserpine, Ursolic acid, dan Oleanolic acid. Hal ini berdasarkan nilai binding affinity nya, dimana suatu senyawa dapat dikatakan berpotensi jika nilai binding affinity nya lebih rendah daripada ligan ligan kontrol dan ligan native. Dimana Apigenin, diosmetin, dan luteolin memiliki nilai binding diatas ligan kontrol dan ligan native nya, oleh karena itu tidak termasuk berpotensi.

English Abstract

One of the mangroves that has the potential as a drug, namely mangrove pedada (Sonneratia alba J.E. Smith). At present the use of mangrove plants as traditional medicine for various diseases began to be used, including to deal with diabetes, because these plants contain chemical compounds such as alkaloid compounds, steroids , triterpen, phenolic compounds, flavonoids, carotenoids, saponins, tannins, amino acids, lipid compounds, polyphenols. Diabetes mellitus (DM), is a collection of symptoms that arise in a person due to the body experiencing disorders caused by inadequate insulin hormone secretion or disturbed insulin function (insulin resistance) or precisely a combination of both. Controlling postprandial glucose levels can be done by delaying the absorption of glucose in the body, by inhibiting the hydrolysis of carbohydrates such as α-amylase and α-glucosidase in the digestive organs. Inhibition of α-glucosidase enzymes and α-amylase results in enzymes unable to convert complex carbohydrates into simple sugar to be absorbed by the body. So that it can reduce the increase in postprandial glucose levels in diabetics. Compounds that can inhibit the activity of α-glucosidase enzymes are secondary metabolitic compounds such as alkaloids, flavonoids and phenols. Treatment given to patients with diabetes mellitus is generally in the form of polyterapy consisting of two or more drugs with hypoglycemic effects, until the average is prescribed four types of drugs a day for each patient so that glucose levels can be well controlled. The use of many drugs in the long run can cause non -compliance in patients to increase. In addition, there is also an increase in drug interactions and side effects, as well as increasing costs that must be incurred by the patient. As a result, many patients then look for other alternative treatments such as using medicinal plants. The aim of this research was to identify the chemical compounds of the leaves of mangrove pedada (Sonneratia alba J.E. Smith) and to analyze the interaction between receptor such as alpha-glucosidase and alpha-amylase against the chemical compounds of pedada leaves. In Silico analysis is a research method by utilizing technology, namely through computational techniques and databases to develop further research. Later, compounds that have the potential to inhibit -glucosidase and -amylase enzymes can be recognized through binding affinity value. The method used in this research was descriptive method, and the stages of the research including sample preparation, extraction, moisture analysis, heavy metal content analysis, LC-HRMS analysis and in silico analysis through molecular docking. In Silico analysis uses 4 programs, namely Autodock Vina, Open Babel, PyRx and Discovery Studio 2021. According to the identification of bioactive compounds from mangrove pedada leaves (Sonneratia alba J.E. Smith) using LC-HRMS, there were 6 bioactive compounds that had the potential as antidiabetics, namely Apigenin, Diosmetin, Luteolin, Reserpine, Oleanolic acid and Ursolic acid. From the docking results obtained, there are 3 highest binding values from the molecular docking of the -glucosidase enzyme with the test ligands, namely Apigenin and Ursolic acid (-8.7 kcal/mol), Diosmetin (-8.8 kcal/mol) and Luteolin. (-9.2 kcal/mol). Of the 6 compounds docked, the 3 lowest binding affinity values obtained from the molecular docking of -amylase enzyme macromolecules with the test were Luteolin (-8.4), Reserpine (-8.6 kcal/mol) and Oleanolic acid (-9.3 kcal/mol). The results of molecular docking of -glucosidase enzyme macromolecules with control obtained acarbose binding value (-8.0 kcal/mol), metformin (-5.6 kcal/mol) and -amylase enzyme docking with control obtained acarbose binding value (-8.4 kcal/mol) ), and metformin (-4.6 kcal/mol). Based on the results of this study, it was concluded that compounds that have the potential to inhibit the -glucosidase enzyme are Apigenin, Diosmetin, Luteolin, Reserpine, Ursolic acid, Oleanolic acid. Meanwhile, compounds that have the potential to inhibit the -amylase enzyme are Reserpine, Ursolic acid, and Oleanolic acid. This is based on the value of its binding affinity, where a compound can be said to be potential if its binding affinity value is lower than the control ligand and native ligand. Where Apigenin, diosmetin, and luteolin have binding values above the control ligands and their native ligands, therefore they are not considered potential.

Item Type:	Thesis (Sarjana)
Identification Number:	0522080274
Subjects:	600 Technology (Applied sciences) > 639 Hunting, fishing & conservation > 639.2 Commercial fishing, whaling, sealing
Divisions:	Fakultas Perikanan dan Ilmu Kelautan > Teknologi Hasil Perikanan
Depositing User:	soegeng sugeng
Date Deposited:	04 Apr 2023 02:14
Last Modified:	04 Apr 2023 02:14
URI:	http://repository.ub.ac.id/id/eprint/197865

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