Studi In Silico: Prediksi Potensi 6-shogaol dalam Zingiber officinale sebagai Inhibitor JNK

Sri Sulystyaningsih Natalia Daeng Tiring, Yohanes Bare, Andri Maulidi, Mansur S, Fitra Arya Dwi Nugraha

Abstract


Type 2 Diabetes Mellitus (T2DM) is a metabolic disease characterized by hyperglycemia and insulin resistance. T2DM therapy against c-Jun N-terminal kinase (JNK) is one of the recovery solutions using bioactive compounds from ginger. 6-shogaol is bioactive compounds of ginger that has antioxidant properties. The purpose of this study is to analyze the potential of 6-shogaol as a JNK inhibitor. JNK protein (ID: 464Y) was obtained from Protein Data Bank (PDB) through 6-shogaol ligand (CID: 5281794) obtained from the PubChem database. Protein docking protein and ligand use Hex 8.0.0 software while visualization and analysis using Discovery Studio client 4.0. The results showed that 6-shogaol was predicted to have potential as a JNK inhibitor. Proving this by finding five amino acid residues (TRY223, LEU210, THR103 ALA214, ARG107) with an energy of -236.29cal/mol. We found the type of hydrogen bonds and the van der waals forces formed. The interaction of ligand and protein successfully inactivates JNK and stops pancreatic β cell dysfunction. 6-shogaol has pharmacological properties as a JNK,T2DM.

 


Keywords


6-shogaol, amino acid, hyperglicemia, JNK, T2DM

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References


Bare, Y., Elizabeth, A., Sari, D. R. T., Rachmad, Y. T., Krisnamurti, G. C., & Lorenza, M. R. W. G. (2019). The potential role of caffeic acid in coffee as cyclooxygenase-2 (COX-2) inhibitor: In silico study. Biointerface Research in Applied Chemistry, 9(5), 4424–4427. https://doi.org/10.33263/BRIAC95.424427

Bare, Y., Kuki, A. D., Rophi, A. H., Krisnamurti, G. C., & Lorenza, Ma. W. W. G. (2019). Prediksi Asam Kuinat sebagai Anti-inflamasi terhadap COX-2 secara Virtual. Biota: Jurnal Imiah Ilmu-Ilmu Hayati, 4 (3).

Bare, Y., Marhendra, A., Sasase, T., & Fatchiyah, F. (2018). Differential Expression of IL-10 Gene and Protein in Target Tissues of Rattus Norvegicus Strain Wistar Model Type 2 Diabetes Mellitus (T2DM). Acta Informatica Medica, 26(2), 87. https://doi.org/10.5455/aim.2018.26.87-92

Bare, Y., Sari, D. R., Rachmad, Y. T., Tiring, S. S. N. D., Rophi, A. H., & Nugraha, F. A. D. (2019). Prediction Potential Chlorogenic Acid As Inhibitor Ace (In Silico Study). Bioscience, 3(2), 197. https://doi.org/10.24036/0201932105856-0-00

Cui, J., Zhang, M., Zhang, Y., & Xu, Z. (2007). JNK pathway: Diseases and therapeutic potential. Acta Pharmacologica Sinica, 28(5), 601–608. https://doi.org/10.1111/j.1745-7254.2007.00579.x

DeFronzo, R. A., Ferrannini, E., Groop, L., Henry, R. R., Herman, W. H., Holst, J. J., … Weiss, R. (2015). Type 2 diabetes mellitus. Nature Reviews Disease Primers, 1(1), 15019. https://doi.org/10.1038/nrdp.2015.19

Hardjono, S. (2013). Sintesis dan Uji Aktivitas Antikanker Senyawa 1-(2-KLOROBENZOILOKSI) Urea dan 1-(4-KLOROBENZOILOKSI) Urea. (1), 6.

Hirosumi, J., Tuncman, G., Chang, L., Görgün, C. Z., Uysal, K. T., Maeda, K., … Hotamisligil, G. S. (2002). A central role for JNK in obesity and insulin resistance. Nature, 420(6913), 333–336. https://doi.org/10.1038/nature01137

Kataria, R., & Khatkar, A. (2019). In-silico design, synthesis, ADMET studies and biological evaluation of novel derivatives of Chlorogenic acid against Urease protein and H. Pylori bacterium. BMC Chemistry, 13(1). https://doi.org/10.1186/s13065-019-0556-0

Kesuma, D., Siswandono, S., Purwanto, B. T., & Hardjono, S. (2018). Uji in silico Aktivitas Sitotoksik dan Toksisitas Senyawa Turunan N-(Benzoil)-N’- feniltiourea Sebagai Calon Obat Antikanker. JPSCR : Journal of Pharmaceutical Science and Clinical Research, 3(1), 1. https://doi.org/10.20961/jpscr.v3i1.16266

Mao, Q.-Q., Xu, X.-Y., Cao, S.-Y., Gan, R.-Y., Corke, H., Beta, T., & Li, H.-B. (2019). Bioactive Compounds and Bioactivities of Ginger (Zingiber officinale Roscoe). Foods, 8(6), 185. https://doi.org/10.3390/foods8060185

Olokoba, A. B., Obateru, O. A., & Olokoba, L. B. (2012). Type 2 Diabetes Mellitus: A Review of Current Trends. Oman Medical Journal, 27(04), 269–273.

Syamsurizal, S. (2018). Type-2 Diabetes Mellitus of Degenerative Disease. Bioscience, 2(1), 34. https://doi.org/10.24036/02018219980-0-00

Teng, H., Seuseu, K. T., Lee, W.-Y., & Chen, L. (2019). Comparing the effects of microwave radiation on 6-gingerol and 6-shogaol from ginger rhizomes (Zingiber officinale Rosc). PLOS ONE, 14(6), e0214893. https://doi.org/10.1371/journal.pone.0214893

Yarza, R., Vela, S., Solas, M., & Ramirez, M. J. (2016). C-Jun N-terminal Kinase (JNK) Signaling as a Therapeutic Target for Alzheimer’s Disease. Frontiers in Pharmacology, 6. https://doi.org/10.3389/fphar.2015.00321




DOI: https://doi.org/10.24252/al-kimia.v7i2.10638

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