Defransyah, Naufal Rakha and Yunita Eka Puspitasari,, S.Pi, MP and Dr. Ir. Hardoko,, MS (2023) Analisis In Silico Senyawa Fitokimia Ekstrak Etil Asetat Daun Mangrove Jeruju (Acanthus ilicifolius L.) Sebagai Inhibitor α-Glukosidase dan α-Amilase. Sarjana thesis, Universitas Brawijaya.
Abstract
Tumbuhan mangrove yang sering digunakan oleh masyarakat pesisir salah satunya adalah jeruju (A. ilicifolius L.) sebagai obat-obatan sehari-hari, seperti obat maag, demam, panas dalam/sariawan, obat bisul, sakit perut, sakit pinggang, dan obat panu/kudis. Bagian tanaman mangrove yang paling banyak dimanfaatkan sebagai obat demam oleh orang pesisir adalah bagian daun. Ekstrak daun jeruju (Acanthus ilicifolius) mengandung flavonoid dan alkaloid yang dapat berpotensi sebagai antidiabetes dengan mekanisme antioksidan yang dimana kemampuan antioksidan ini untuk mencegah radikal bebas yang mampu merusak pankreas dan liver. Salah satu obat golongan penghambat alfa glukosidase adalah acarbose, acarbose bekerja dengan menghambat enzim glycoside hydrolase α-glucosidase yang mencerna karbohidrat di brush border usus. Efek jangka pendek pada pasien diabetes melitus tipe 2 adalah penurunan kadar glukosa darah. Tahapan penelitian ini dimulai dari ekstraksi daun mangrove jeruju (A. ilicifolius L.) secara bertingkat dengan pelarut n-heksan dan etil asetat, analisis LC-MS, serta analisis in silico. Penelitian dilaksanakan dengan metode deskriptif. Data yang diperoleh oleh peneliti dilakukan analisis secara in silico menggunakan aplikasi PyRx, Autodock Tools, Open Babel, Vina, Discovery Studio 2021. Analisis in silico bertujuan untuk mendapatkan senyawa bioaktif yang diesktrak dari daun mangrove jeruju (A. ilicifolius L.) dengan pelarut etil asetat yang mampu menghambat enzim α-glucosidase dan α-amilase secara in silico, dilihat dari hasil binding energy. Ekstrak etil asetat daun mangrove jeruju (A. ilicifolius L.) memiliki 3 senyawa yang memiliki nilai binding energy yang lebih rendah daripada ligan native serta obat kontrol acarbose dan metformin. Pada molecular docking terhadap makromolekul enzim α-glukosidase yaitu oleanolic acid (-8,8 kkal/mol), apigenin (-8,6 kkal/mol), dan reserpine (-8,3 kkal/mol) lebih rendah daripada ligan native (-5,6 kkal/mol), acarbose (-8,3 kkal/mol), dan metformin (-5,2 kkal/mol). Terdapat 3 nilai binding energy rendah pada molecular docking terhadap makromolekul enzim α-amilase yaitu oleanolic acid (-9,3 kkal/mol), reserpine (-8,7 kkal/mol), dan apigenin (-8,2 kkal/mol), lebih rendah daripada kedua ligan native (-7,9 dan -5,7 kkal/mol), acarbose (-8,2 kkal/mol), dan metformin (-4,6 kkal/mol). Melalui hasil ikatan pada residu asam amino dari senyawa bioaktif tersebut dapat disimpulkan bahwa apigenin mampu menginhibisi enzim α-glukosidase secara non-kompetitif dan apigenin mampu menginhibisi α-amilase secara kompetitif. Perlu dilakukan penelitian secara in vitro dan in vivo mengenai keabsahan senyawa bioaktif yang terkandung pada daun mangrove jeruju (A. ilicifolius L.) yang berpotensi menghambat enzim enzim α-glukosidase dan α-amilase, serta dosis optimalnya.
English Abstract
Mangrove plants that are often used by coastal communities, one of which is jeruju (A. ilicifolius L.) as daily medicines, such as ulcer medicine, fever, heartburn / thrush, ulcer medicine, stomach pain, backache, and tinea versicolor / scabies medicine. The part of the mangrove plant that is most widely used as a fever medicine by coastal people is the leaf part. Jeruju leaf extract (A. ilicifolius L.) contains flavonoids and alkaloids that have potential as antidiabetic with antioxidant mechanisms where the ability of these antioxidants to prevent free radicals that can damage the pancreas and liver. One of the alpha glucosidase inhibitors is acarbose, acarbose works by inhibiting the glycoside hydrolase -glucosidase enzyme which digests carbohydrates in the brush border of the intestine. The short-term effect in patients with type 2 diabetes mellitus is a decrease in blood glucose levels. The stages of this research started from the extraction of jeruju mangrove leaves (A. ilicifolius L.) in stages with n-hexane and ethyl acetate as solvents, LC-MS analysis, and in silico analysis. The research was carried out with a descriptive method. The data obtained by the researchers were analyzed in silico using the PyRx Autodock Tools, Open Babel, Vina, Discovery Studio 2021 applications. In silico analysis aims to obtain bioactive compounds extracted from jeruju mangrove leaves (Acanthus ilicifolius) with ethyl acetate as a solvent that can inhibit α-glucosidase and α-amylase enzymes in silico, seen from the binding energy results. The ethyl acetate extract of jeruju mangrove leaves (A. ilicifolius L.) has 3 compounds that have lower binding energy values than native ligands and control drugs acarbose and metformin. There are 3 lowest binding energy values in molecular docking of α-glucosidase enzyme, namely apigenin (-8.7 kcal/mol), oleanolic acid (-8.6 kcal/mol), and reserpine (-8.6 kcal/mol) were lower than native ligands (-6.1 kcal/mol), acarbose (-8.0 kcal/mol), and metformin (-5.5 kcal/mol). There are 3 lowest binding energy values in molecular docking of α-amylase enzyme macromolecules, namely oleanolic acid (-9.3 kcal/mol), reserpine (-8.7 kcal/mol), and apigenin (-8.2 kcal/mol), lower than both native ligands (-7.9 and -5.7 kcal/mol), acarbose (-8.2 kcal/mol), and metformin (-4.6 kcal/mol). Based on the results of the binding formed on the amino acid residues of these bioactive compounds, it can be concluded that apigenin is able to inhibit α-glucosidase enzymes non-competitively and apigenin is able to inhibit α-amylase competitively. It is necessary to conduct in vitro and in vivo research on the validity of the bioactive compounds contained in jeruju mangrove leaves (A. ilicifolius L.) which have the potential to inhibit α-glucosidase and α-amylase enzymes, as well as their optimal doses.
| Item Type: | Thesis (Sarjana) |
|---|---|
| Identification Number: | 0523080032 |
| 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: | 05 Jun 2023 07:25 |
| Last Modified: | 05 Jun 2023 07:25 |
| URI: | http://repository.ub.ac.id/id/eprint/200748 |
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