Virtual Screening of 8-Gingerol in Zingiber officinale Towards Cox-2 Gene

Authors

  • Yohanes Bare Universitas Nusa Nipa
  • Mansur S Nusa Nipa University
  • Maria Helvina Nusa Nipa University
  • Aprianus Pani Pili Nusa Nipa University

Keywords:

Keyword: 8-gingerol; anti-inflammation; COX-2; zinger.

Abstract

Abstract. Ginger rhizome has polyphenol component which is 8-gingerol. Recent research showed that the compound has role as antiinflammation and antioxidant. This study aim to analyze the role of 8-gingerol which interacts with COX-2. This study used in silico analysis. Protein model COX-2 (ID: 6cox) was taken from Protein Data Bank (PDB) database while 8-gingerol (CID: 168114) from PubChem. Docking and visualization of interaction between COX-2 and 8-gingerol using Discovery Study Client 4.1 software. We found 8-gingerol has the potential as an inhibitor of the COX-2 gene as evidenced by the 3 amino acid residues that interact with the ligands on the active site and are supported by van der Waals forces and a bond energy of -340.3 cal/mol. 

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References

Bare, Yohanes, Agustina Dua Kuki, Apriani Herni Rophi, and Gabriella Candrakirana. 2019. “Prediksi Asam Kuinat Sebagai Anti-Inflamasi Terhadap COX-2 Secara Virtual Virtual Prediction of Quinic Acid As Anti-Inflammation of COX-2.” Biota: Jurnal Ilmu-Ilmu Hayati 4(3):124–29. doi: https://doi.org/10.24002/biota.v4i3.2516.
Bare, Yohanes, Agung Marhendra, Tomohiko Sasase, and Fatchiyah Fatchiyah. 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):87–92. doi: 10.5455/aim.2018.26.87-92.
Bare, Yohanes, Andri Maulidi, Dewi Ratih Tirto Sari, and Sri Sulystyaningsih Natalia Daeng Tiring. 2019. “Studi in Silico Prediksi Potensi 6-Gingerol sebagai inhibitor c-Jun N-terminal kinases (JNK).” Jurnal Jejaring Matematika dan Sains 1(2):59– 63. doi: 10.36873/jjms.v1i2.211.
Bare, Yohanes, Dewi Ratih Tirto Sari, Yoga Tribakti Rachmad, Gabriella Candrakirana Krisnamurti, and Agustina Elizabeth. 2019. “In Silico Insight the Prediction of Chlorogenic Acid in Coffee through Cyclooxygenase-2 (COX2) Interaction.” Biogenesis: Jurnal Ilmiah Biologi 7(2):100–105. doi: 10.24252/bio.v7i2.9847.
Imtiyaz, Shaikh, Khaleequr Rahman, Arshiya Sultana, Mohd Tariq, and Shahid Shah Chaudhary. 2013. “Zingiber Officinale Rosc.: A Traditional Herb with Medicinal Properties.” Tang [Humanitas Medicine] 3(4):26.1-26.7. doi: 10.5667/tang.2013.0009.
Kellogg, Aaron, Hsinlin Cheng, and Rodica Pop-Busui. 2008. “Cyclooxygenase-2 Pathway as a Potential Therapeutic Target in Diabetic Peripheral Neuropathy.” Current Drug Targets 9(1):68–76. doi: 10.2174/138945008783431691.
Mao, Qian Qian, Xiao Yu Xu, Shi Yu Cao, Ren You Gan, Harold Corke, Trust Beta, and Hua Bin Li. 2019. “Bioactive Compounds and Bioactivities of Ginger (Zingiber Officinale Roscoe).” Foods 8(6):1–21. doi: 10.3390/foods8060185.
Mohammed, Ammar, Ahmed Ali, Mawahib Elamin Mohamed Elnour, Owais Mohammad, and Sakina Mohamed Yagi. 2019. “In Vitro Anti-Inflammatory Activity of Ginger (Zingiber Officinale Rosc.) Rhizome, Callus and Callus Treated with Some Elicitors.” Journal of Medicinal Plants Research 13(10):227–35. doi: 10.5897/JMPR2019.6758.
Njobdi, Sani, Maryam Gambo, and Gali Adamu Ishaku. 2018. “Antibacterial Activity of Zingiber Officinale on Escherichia Coli and Staphylococcus Aureus.” Journal of Advances in Biology & Biotechnology 19(1):1–8. doi: 10.9734/jabb/2018/43534.
Rehman, Riazur, M. Akram, Naveed Akhtar, Qaiser Jabeen, Tariq Saeed, S. M. Ali Shah, Khalil Ahmed, Ghazala Shaheen, and H. M. Asif. 2011. “Zingiber Officinale Roscoe (Pharmacological Activity).” Journal of Medicinal Plant Research 5(3):344–48.
Ricciotti, Emanuela, and Garret A. FitzGerald. 2011. “Prostaglandins and Inflammation.” Arteriosclerosis, Thrombosis, and Vascular Biology 31(5):986–1000. doi: 10.1161/ATVBAHA.110.207449.
Saiah, Wassila, Hanane Halzoune, Rabah Djaziri, Khadidja Tabani, Elhadj Ahmed Koceir, and Naima Omari. 2017. “Antioxidant and Gastroprotective Actions of Butanol Fraction of Zingiber Officinale against Diclofenac Sodium-Induced Gastric Damage in Rats.” Journal of Food Biochemistry 42(1):1–12. doi: 10.1111/jfbc.12456.
Simmons, D. L. 2004. “Cyclooxygenase Isozymes: The Biology of Prostaglandin Synthesis and Inhibition.” Pp. 387–437 in Pharmacological Reviews. Vol. 56.
Smyth, Emer M., Tilo Grosser, Miao Wang, Ying Yu, and Garret A. FitzGerald. 2009. “Prostanoids in Health and Disease: Fig. 1.”
Journal of Lipid Research 50(Supplement):S423–28. doi: 10.1194/jlr.R800094-JLR200.
Tiring, Sri Sulystyaningsih Natalia Daeng, Yohanes Bare, Andri Maulidi, Mansur S, and Fitra Arya Dwi Nugraha. 2019. “Studi In Silico: Prediksi Potensi 6-Shogaol Dalam Zingiber Officinale Sebagai Inhibitor JNK.” Al-Kimia 7(2):147–53. doi: 10.24252/al-kimia.v7i2.10638.
Zarghi, Afshin, and Sara Arfaei. 2011. “Selective COX-2 Inhibitors: A Review of Their Structure-Activity Relationships.” Pp. 655– 83 in Iranian journal of pharmaceutical research?: IJPR. Vol. 10.

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Published

2021-02-28

How to Cite

Bare, Y., S, M., Helvina, M., & Pili, A. P. (2021). Virtual Screening of 8-Gingerol in Zingiber officinale Towards Cox-2 Gene. Proceeding International Conference on Science and Engineering, 4, 272–275. Retrieved from http://sunankalijaga.org/prosiding/index.php/icse/article/view/670

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