Virtual Screening: Prediksi potensi 8-shogaol terhadap c-Jun N-Terminal Kinase (JNK)

Authors

  • Yohanes Bare NUSA NIPA UNIVERSITY
  • Mansur S nusa nipa university
  • Sri Sulystyaningsih Natalia Daeng Tiring NUSA NIPA UNIVERSITY
  • Dewi Ratih Tirto Sari BRAWIJAYA UNIVERSITY
  • Andri Maulidi PALANGKA RAYA UNIVERSITY

DOI:

https://doi.org/10.36312/e-saintika.v4i1.157

Keywords:

8-shogaol, Ginger, In Silico, JNK, T2DM, Jahe

Abstract

JNK adalah gen yang berperan dalam metabolisme DMT2. Dalam pengobatan T2DM digunakan JNK sebagai potensi terapi dengan menggunakan bahan alam. 8-shogaol adalah komponen kimia yang terkandung dalam jahe yang memiliki aktivitas antioksidan. Tujuan dari penelitina ini adalah menginversitagasi dan menganalisis peran 8-shogaol terhadap JNK. Protein JNK (ID: 464Y) diperoleh dari Protein Data Bank dan ligan 8-shogaol (CID:6442560 ) didapat dari pubchem. Ligan dan protein didocking menggunakan Hex 8.0.0. File dalam bentuk pdb divisualtisasi dan analisis menggunakan Discovery Studio Client 4.1 software. Interaksi ligan-protein menunjukan ikatan hidrogen pada residu asam amino LYS93 dan van der Waals pada 18 residu asam amino dengan energi ikatan-289.68cal/mol. Interkasi ini berpotensi sebagai penghambat kerja JNK dan dapat digunakan dalam terapi DMT2.

Virtual screening: potential prediction of 8-shogaol againts c-Jun N-Terminal Kinase (JNK)

Abstract

JNK is one of gene that has a role in T2DM condition. To curve T2DM use JNK as potential healing using natural compounds. Eight-shogaol which found in ginger has function as a antioxidant.. The aim of the research is to investigate and analyze role 8-shogaol againts JNK. Protein JNK (ID: 464Y) was taken from Protein Data Bank and ligand 8-shogaol (CID:6442560 ) acquired from pubchem. Ligand and protein model were docked using Hex 8.0.0 software. Visualization and analysis molecular interactions by the Discovery Studio Client 4.1 software. Interaction ligand-protein showed one hydrogen bond in amino acid residue LYS93 and formed van der Waals in eighteen amino acid residues which energy binding -289.68cal/mol. This interaction has a potential to inhibit JNK role and lead to therapy T2DM.

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Author Biographies

Yohanes Bare, NUSA NIPA UNIVERSITY

BIOLOGY EDUCATION STUDY PROGRAM, FACULTY OF TEACHING AND TRAINING

Mansur S, nusa nipa university

BIOLOGY EDUCATION STUDY PROGRAM, FACULTY OF TEACHING AND TRAINING

Sri Sulystyaningsih Natalia Daeng Tiring, NUSA NIPA UNIVERSITY

CHEMISTRY EDUCATION STUDY PROGRAM, FACULTY OF TEACHING AND TRAINING

Dewi Ratih Tirto Sari, BRAWIJAYA UNIVERSITY

BIOLOGY DEPARTMENT

Andri Maulidi, PALANGKA RAYA UNIVERSITY

DEPARTMENT OF BIOLOGY, FACULTY OF MATHEMATICS AND NATURAL SCIENCE

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Published

2020-03-05

How to Cite

Bare, Y., S, M., Tiring, S. S. N. D., Sari, D. R. T., & Maulidi, A. (2020). Virtual Screening: Prediksi potensi 8-shogaol terhadap c-Jun N-Terminal Kinase (JNK). Jurnal Penelitian Dan Pengkajian Ilmu Pendidikan: E-Saintika, 4(1), 1–6. https://doi.org/10.36312/e-saintika.v4i1.157

Issue

Vol. 4 No. 1: March 2020

Section

Research Papers

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