Analisis Pemodelan In-Silico Interaksi METTL10 (Methyltransferase Like Protein 10) dengan Reseptornya Sebagai Kandidat Marker Kanker Pankreas

Priyanto, Abisha Joses (2017) Analisis Pemodelan In-Silico Interaksi METTL10 (Methyltransferase Like Protein 10) dengan Reseptornya Sebagai Kandidat Marker Kanker Pankreas. Sarjana thesis, Universitas Brawijaya.

Abstract

Penelitian ini bertujuan untuk mengetahui interaksi METTL10 dengan protein yang bertanggung jawab pada regulator apoptosis sehingga dapat menjadi kandidat marker kanker pankreas serta mengetahui profil sifat fisik interaksi antara METTL10 dengan protein target menggunakan analisis in-silico dengan metode Molecular Docking. Proses analisis in-silico dengan metode Molecular Docking dilakukan dalam beberapa tahapan yaitu: 1) Optimalisasi struktur Geometri dari METTL10 sebagai ligan, 2) Optimalisasi struktur Geometri dari reseptor METTL10 yang sesuai dengan pathway teraktifasi, 3) Proses Docking menggunakan web server docking berupa Parchdock/Firedock dan pyDOCKweb. Uji hasil penambatan dilakukan dengan memvisualisasikan menggunakan program docking berupa Discovery Studio, LigPlot+, Chimera. Hasil penambatan dipengaruhi oleh berbagai energi, yaitu energi bebas Gibbs, Van Der Waals, Desolvasi, Kelektronegatifan, konstanta inhibisi, dan berbagai jenis ikatan yang terbentuk. Dari hasil penelitian, interaksi yang terjadi antara METTL10 adalah dengan EEF1A1 pada residu Asam Glutamat45 milik METTL10 dengan residu Lisin100 milik EEF1A1. R-Glutamat dari METTL10 berinteraksi dengan R-Lisin dari EEF1A1 dikarenakan R-Lisin memiliki halangan sterik yang lebih kecil sehingga Lisin pada EEF1A1 mempunyai probabilitas yang tinggi untuk termetilasi. Didukung dengan nilai ikatan Hidrogen sebesar -0,27 kJ/mol, energi bebas gibbs sebesar -44,580 kal/mol, elektrostatis -40,173, ACE sebesar 11,89, gaya Van Der Waals sebesar 39,228, desolvasi sebesar -8,329 dan nilai Ki sebesar 0,930 sebagai sifat fisik interaksi. Sehingga EEF1A1 dapat mendukung METTL10 berperan sebagai kandidat marker kanker pankreas.

English Abstract

This research was conducted with purpose to determine the interactions that occur between METTL10 (Methyltransferase Like Protein 10) to its receptor that responsible in apoptotic regulator so that it can be decided to be a candidate for pancreatic cancer marker and to know the physical properties of interaction between METTL10 and protein target using in-silico modelling analysis by Molecular Docking method. The analysis process of in-silico using methods Molecular Docking carried out in several main stages: 1) Optimizing the geometry structure of METTL10 as ligand, 2) Optimizing the geometry structure of METTL10 receptors corresponding to the activated pathway, 3) A web server docking process using a docking form Parchdock/Firedock and pyDOCKweb. The results performed by visualizing using a docking program such as Discovery Studio, LigPlot+, Chimera. The Results are influenced by a variety of energy, namely the Gibbs free energy, Van Der Waals, desolvation, electronegativity, inhibition constants, and various types of bonds that are formed. As a result showed that METTL10 more interacted to EEF1A1 receptor on METTL10’s Glutamate acid45 residue with EEF1A1's Lysin100 residue. R-Glutamate from METTL10 interacts with R-Lysin from EEF1A1 because R-Lysin has a smaller steric hindrance so that Lysin in EEF1A1 has a high probability for methylation. Supported by Hydrogen bond value of -0.27 kJ / mol, gibbs-free energy of -44.580 cal / mol, electrostatic of -40.173, ACE of 11.89, Van Der Waals force of 39.222, desolvation of -8.329 and Ki value of 0.930 as the physical nature of the interaction. So EEF1A1 can support METTL10 as a pancreatic cancer marker candidate.

Item Type: Thesis (Sarjana)
Identification Number: SKR/FMIPA/2017/471/051709813
Uncontrolled Keywords: METTL10, in-silico, molecular docking, Lisin, metilasi, energi bebas Gibbs, EEF1A1, kanker pankreas
Subjects: 500 Natural sciences and mathematics > 572 Biochemistry > 572.7 Enzymes
Divisions: Fakultas Matematika dan Ilmu Pengetahuan Alam > Kimia
Depositing User: Nur Cholis
Date Deposited: 01 Nov 2017 04:29
Last Modified: 18 Nov 2021 03:17
URI: http://repository.ub.ac.id/id/eprint/4683
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