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

Issue

Vol. 4 No. 1 (2020): March

Section

Research Papers

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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