Sholichah, Yunita Aminatus and Yunita Eka Puspitasari,, S.Pi, MP and Dr. Ir. Titik Dwi Sulistiyati, MP (2022) Analisis In Silico Senyawa Bioaktif Ekstrak Metanol Daun Mangrove Jeruju (Acanthus ilicifolius Linn) sebagai Inhibitor α-Glukosidase dan α-Amilase. Sarjana thesis, Universitas Brawijaya.
Abstract
Acanthus ilicifolius Linn. termasuk dalam family Acanthaceae merupakan tanaman merambat dengan tinggi 0,5-2 m dengan duri halus dan tajam pada batang dan daunnya. A. ilicifolius Linn merupakan tumbuhan mangrove yang memiliki berbagai potensi pada bidang pangan dan kesehatan. A. ilicifolius Linn terbukti dapat digunakan sebagai pengobatan alternatif untuk diabetes. Diabetes merupakan gangguan metabolisme pankreas dalam mensekresikan hormon insulin, sehingga tidak menghasilkan cukup insulin atau tubuh tidak dapat menggunakan insulin yang diproduksi secara efektif. Pengobatan pada penderita diabetes yaitu dengan dua obat utama seperti suntik insulin dan mengkonsumsi obat hipoglikemik oral misalnya akarbosa dan metformin yang dapat menurunkan atau menstabilkan kadar gula darah melalui penghambatan α-glukosidase dan α-amilase. Enzim α-amilase bekerja di air liur dan pankreas yang menghidrolisis polisakarida atau oligosakarida menjadi monosakarida yang akan dihidrolisis menjadi glukosa ke peredaran darah oleh Enzim α-glukosidase yang bekerja pada dinding usus halus. Konsumsi obat akarbosa dalam jangka panjang dapat menimbulkan efek samping pada saluran pencernaan seperti mual, kembung, diare kronis dan gangguan saluran pencernaan. Tujuan dari penelitian ini adalah untuk mengetahui senyawa bioaktif yang diekstrak dari daun mangrove jeruju (A. ilicifolius Linn) dengan pelarut metanol mampu menghambat enzim α-glukosidase dan enzim α-amilase secara In silico. Metode penelitian yang digunakan merupakan metode deskriptif. Penelitian ini dilakukan melalui beberapa tahapan yaitu preparasi sampel daun mangrove jeruju (A.ilicifolius Linn), ekstraksi menggunakan pelarut metanol, identifikasi senyawa bioaktif dengan analisis LC-MS dan molecular docking dengan metode In silico. Analisis In silico dilakukan menggunakan laptop dan beberapa software yaitu BIOVIA Discovery Studio 2021, PyRx, dan AutoDock Vina, Open Babel, Vina Wizard yang terapat dalam software Pyrx. Hasil penelitian menunjukkan daun mangrove jeruju (A.ilicifolius Linn) mengandung tujuh senyawa biokaktif berdasrkan hasil kromatogram LC-HRMS yaitu glycitein, luteolin, apigenin 7-O-glucuronide, corymboside, reserpine, scutellarin, dan flurandrenolide. Hasil molecular docking enzim α-glukosidase didapatkan empat nilai binding affinity terendah terhadap makromolekul enzim α-glukosidase yaitu pada corymboside (-9,9 kkal/mol), apigenin 7-O-glucuronide (-9,8 kkal/mol), scutellarin (-8,9 kkal/mol) dan luteolin (-8,9 kkal/mol). Senyawa tersebut lebih potensial menghambat α-glukosidase terhadap ligan native 2-acetamido-2-deoxy-beta-D-glucopyranose (-5,6 kkal/mol), serta ligan kontrol akarbosa (-7,6 kkal/mol). Sedangkan, pada hasil molecular docking didapatkan tiga hasil nilai binding affinity terhadap makromolekul enzim α-amilase yaitu apigenin 7-O-glucuronide (-9,3kkal/mol), scutellarin (-9,0 kkal/mol), dan flurandrenolide (-8,9 kkal/mol). Senyawa tersebut lebih potensial menghambat α-amilase terhadap ligan native 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one (-8,0 kkal/mol) dan 2-acetamido-2-deoxy-beta-D-glucopyranose (-5,6 kkal/mol), serta ligan kontrol yaitu akarbosa (-8,2 kkal/mol). Berdasarkan hasil tersebut dapat disimpulkan bahwa senyawa daun mangrove jeruju (A.ilicifolius Linn) yang mampu menginhibisi enzim α-glukosidase yang termasuk inhibitor kompetitif yaitu senyawa glycitein, reserpine, dan scutellarin. Sedangkan, senyawa pada enzim α-glukosidase yang termasuk inhibitor non-kompetitif yaitu senyawa corymboside, apigenin 7-O-glucuronide, luteolin, dan flurandrenolide. Serta, senyawa yang termasuk inhibitor kompetitif yang mampu menginhibisi enzim α-amilase yang termasuk inhibitor kompetitif yaitu senyawa apigenin 7-o-glucuronide, corymboside, glycitein, dan luteolin. Sedangkan, senyawa pada enzim α-amilase yang termasuk inhibitor non-kompetitif yaitu senyawa Flurandrenolide, Reserpine, dan Scutellarin.
English Abstract
Acanthus ilicifolius L. is a sedge of the family Acanthaceae, with fine, sharp spines on its stems and leaves. A.ilicifolius is a mangrove plant that has various potential for food and health. A.ilicifolius has been shown to be used as an alternative treatment for diabetes. Diabetes is a pancreatic metabolic disorder in the secretion of insulin hormones, resulting in insufficient insulin or the body being unable to effectively use insulin. Treatment in diabetics is by two main drugs such as insulin injections and taking oral hypoglycemic drugs such as acarbose and metformin that can lower or stabilize blood sugar levels by inhibition of α-glucosidase and α-amylase. The α-amylase enzyme works in the saliva and pancreas that hydrolyzes polysaccharides or oligosaccharides into monosaccharides to be hydrolyzed into glucose into the bloodstream by the α-glucosidase enzyme that works on the walls of the fine intestine. Long-term consumption of akarbosa drugs can cause side effects on the digestive tract such as nausea, bloating, chronic diarrhea and indigestion. The purpose of this study was to find out the bioactive compounds extracted from mangrove jeruju leaves (A.ilicifolius) with methanol solvent is able to inhibit α-glucosidase and α-amylase enzymes. The research method used is a descriptive method. The study was carried out through several steps: preparation of mangrove jeruju leaf samples (A. llicifolius), extraction using methanol solvents, identification of bioactive compounds by LC-HRMS analysis and molecular docking by the insilico method. Insilico analysis was carried out using laptops and some software, namely the BIOVIA Discovery Studio 2021, PyRx, and AutoDock Vina, Open Babel, Vina Wizard included in the Pyrx software. Studies have shown that mangrove jeruju leaves (A. lilicifolius Linn) contain seven biocactive compounds based on LC-HRMS chromatograms i.e glycitein, luteolin, apigenin 7-O-glucuronide, corymboside, reserpine, scutellarin, and flurandrenolide. Molecular docking of the α-glucosidase enzyme has four lowest binding affinity values for the α-glucosidase enzyme macromolecules corymboside (-9.9 kcal/mol), apigenin 7-O-glucuronide (-9.8 kcal/mol), scutellarin (-8.9 kcal/mol), and luteolin (-8 kcal/mol). It is more potentially inhibiting α-glucosidase against the native ligand 2-acetamido-2-deoxy-beta-D-glucopyranose (-5.6 kcal/mol), and acarbose as control ligand (-7.6 kcal/mol). In molecular docking, three binding affinity values for α-amylase enzyme macromolecules are apigenin 7-O-glucuronide (-9.3 kcal/mol), scutellarin (-9.0 kcal/mol), and flurandrenolide (-8.9 kcal/mol). It is more potentially inhibiting α-amylase against the native ligands 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one (-8.0 kcal/mol) and 2-acetamido-2-deoxy-beta-D-glucopyranose (-5,6 kcal/mol) and acarbose as control ligand (-8,2 kkal/mol). Based on these results, it can be concluded that mangrove jeruju leaf compounds (A. llicifolius Linn) are capable of inhibiting α-glucosidase enzymes that include competitive inhibitors such as glycitein, reserpine, and scutellarin. The compounds in α-glucosidase enzymes that include non-competitive inhibitors are corymboside, apigenin 7-O-glucuronide, luteolin, and flurandrenolide. Also, compounds that include competitive inhibitors capable of inhibiting α-amylase enzymes that include competitive inhibitors such as 7-o-glucuronide apigenin compounds, corymboside, glycitein, and luteolin. The compounds in α-amylase enzymes that include non-competitive inhibitors are Flurandrenolide, Reserpine, and Scutellarin.
| Item Type: | Thesis (Sarjana) |
|---|---|
| Identification Number: | 0522080636 |
| Divisions: | Fakultas Perikanan dan Ilmu Kelautan > Teknologi Hasil Perikanan |
| Depositing User: | soegeng sugeng |
| Date Deposited: | 15 Jan 2024 08:06 |
| Last Modified: | 15 Jan 2024 08:06 |
| URI: | http://repository.ub.ac.id/id/eprint/210415 |
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