Syamsiyah, Nurus (2019) Studi In Silico Pola Interaksi Antara Polifenol Egcg Teh Dengan Protein Kunitz Inhibitor Trypsin (KIT) dan Lipoxygenase (LOX). Sarjana thesis, Universitas Brawijaya.
Abstract
Diversifikasi pengolahan tempe menjadi susu tempe diperlukan untuk memperkaya olahan tempe. Namun masalah utama terhadap konsumsi produk kedelai yaitu adanya faktor antinutritional yang disebabkan oleh protein Kunitz Inhibitor Trypsin (KIT) dan adanya rasa atau sensasi astrigency yang tidak menyenangkan dari protein Lipoxygenase (LOX). Penambahan larutan teh yang memiliki senyawa polifenol EGCG (Epigallocatechin gallat) diperlukan untuk meminimalisir faktor-faktor tersebut. Tujuan penelitian ini yaitu untuk memprediksi interaksi, perubahan struktur, jenis ikatan, dan energy binding antara struktur 3D senyawa EGCG dengan protein model KIT dan LOX melalui analisis docking in silico. Protein model didapatkan dari database Protein Data Bank (PDB) dengan kode protein KIT (PDB:1BA7) dan protein LOX (PDB:IF8N). Struktur 3D EGCG diperoleh dari database PubChem (PubChem CID: 65064). Setelah itu dilakukan docking antara ligan EGCG dan setiap protein menggunakan software Hex. Super Impose dilakukan dengan aplikasi online SuperPose Version 1.0. Hasil simulasi docking in silico menunjukkan adanya tiga jenis ikatan meliputi ikatan hidrogen, elektrostatik dan hidrofobik pada residu asam amino Thr34, Asn36, Arg160, Ile152, dan Glu101 pada protein KIT dan Asn370, Ile412, Asp408, Asp411, dan Ile412 pada protein LOX. Nilai Binding Energy antara kompleks KIT-EGCG sebesar -238,77 dan LOX-EGCG yaitu - 309,86. Penambahan senyawa EGCG terhadap protein KIT dan LOX pada kedelai kurang optimal karena LIG1 tidak berikatan pada active site dan ikatan disulfida dari protein KIT atau active site dari LOX. Diperkirakan akan terjadi endapan dalam larutan susu tempe melalui interaksi multisite dan ikatan lemah yang terjadi dapat memiliki kemampuan kembali pada kondisi semula (reversible). Super Impose menunjukkan tidak ada perubahan pada protein yang telah didocking.
English Abstract
Diversification processing of tempe into tempe milk is very important to enrich the tempe refined products, but the main problem towards consumption soy products is the presence of antrinutritional factors caused by the Kunitz Inhibitor Trypsin (KIT) protein and the bad taste or astrigency sensation of the Lipoxygenase (LOX) protein. The addition of tea solution that an EGCG (Epigallocatechin gallat) polyphenol compounds is needed to minimize those factors. The purpose of this research is to predict interactions, structural changes, types of bonds, and energy binding between the 3D structure of EGCG compounds with protein models KIT and LOX through docking in silico analysis. Protein models are obtained from the PDB (Protein Data Bank) database with codes KIT protein (PDB:1BA7) and LOX protein (PDB:IF8N). The 3D structure of EGCG was obtained from the PubChem database (PubChem CID: 65064). After that, docking between EGCG ligand and each proteins was carried out using Hex software. Super Impose is done with the SuperPose Version 1.0 online application. The docking in silico simulation results show that there are three types of bonds including hydrogen bonds, electrostatic and hydrophobic bonds on amino acid residues of Thr34, Asn36, Arg160, Ile152, and Glu101 on the KIT protein and Asn370, Ile412, Asp408, Asp411, and Ile412 on LOX protein. The Binding Energy value between KIT-EGCG complex is -238.77 and LOX-EGCG is -309.86. The addition of EGCG compounds to protein KIT and LOX in soybeans was less than optimal because LIG1 did not bind to the active site and disulfide bonds of the KIT protein or the active site of LOX. It is estimated that sediment will occur in a solution of tempe milk through multisite interactions and weak bonds that occur can have the ability to return to its original condition (reversible). Super Impose shows that there is no change in the protein that has been docked.
Other obstract
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| Item Type: | Thesis (Sarjana) |
|---|---|
| Identification Number: | SKR/MIPA/2019/56/051910758 |
| Uncontrolled Keywords: | Docking, EGCG, ikatan lemah, protein tempe (KIT dan LOX), Docking, EGCG, tempe protein (KIT and LOX), weak bonds. |
| Subjects: | 500 Natural sciences and mathematics > 570 Biology > 570.7 Education, research, related topics |
| Divisions: | Fakultas Matematika dan Ilmu Pengetahuan Alam > Biologi |
| Depositing User: | Budi Wahyono Wahyono |
| Date Deposited: | 02 Nov 2020 06:40 |
| Last Modified: | 29 Mar 2022 06:54 |
| URI: | http://repository.ub.ac.id/id/eprint/176790 |
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