Revealing of Antiinflamatory Agent from Zingiber officinale var. Roscoe via IKK-B Inhibitor Mechanism through In Silico Simulation

https://doi.org/10.24036/sainstek/vol1-iss01/4

Authors

  • Md. Emdad Ullah Department of Chemistry, Mississippi State University, Mississippi State, United States
  • Rasyadan Taufiq Probojati Department of Agrotechnology, Faculty of Agriculture, Universitas Kadiri, Kediri, Indonesia
  • Ahmad Affan Ali Murtadlo Computational Virology Research Unit, Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia
  • Muhammad Badrut Tamam Department of Biology, Faculty of Sciences and Technology, Universitas Muhammadiyah Lamongan, Lamongan, Indonesia
  • Sin War Naw Department of Chemistry, Myitkyina University, Myitkyina, Myanmar

Keywords:

Anti-inflammatory, Bioinformatics, IKK-B, NF-κB, Zingiber officinale

Abstract

Inflammation is a response to the immune system from attack by infectious agents. Its condition triggered by a phase of dilatation in the blood flow and increased membrane permeability in the area of ​​infection. The results of in vitro research showed that compounds from Zingiber officinale var. Roscoe extract could trigger a decrease in NF-κB protein activity and pro-inflammatory cytokine production. NF-κB activity is influenced by the IKK-B enzyme for the phosphorylation of IκBα and NF-κB complexes, phosphorylation triggers IκBα dissociation and releases NF-κB to trigger proinflammatory gene expression. Extract from the rhizome of Zingiber officinale var. Roscoe can prevent and treat inflammation in the human body, this treatment is classified as an alternative according to previous research. This study aims to identify the anti-inflammatory potential of Zingiber officinale var Roscoe through the mechanism of inhibition of IKKB enzyme activity through bioinformatics simulation. Zingiber officinale var. Roscoe is predicted to act as an anti-inflammatory agent through 6-shogaol with a mechanism of IKK-B phosphorylation activity inhibition at Ser177 and Ser181 residues, 6-shogaol is predicted to act as a drug-like molecule, the anti-inflammatory potential of Zingiber officinale var. Roscoe must undergo further analysis to provide strong scientific evidence.

References

Pagano E, Souto EB, Durazzo A, Sharifi-Rad J, Lucarini M, Souto SB, Salehi B, Zam W, Montanaro V, Lucariello G, Izzo AA, Santini A, Romano B. Ginger (Zingiber officinale Roscoe) as a nutraceutical: Focus on the metabolic, analgesic, and antiinflammatory effects. Phytother Res. 2020. doi: 10.1002/ptr.6964.

Hiros Mao QQ, Xu XY, Cao SY, Gan RY, Corke H, Beta T, Li HB. Bioactive Compounds and Bioactivities of Ginger (Zingiber officinale Roscoe). Foods. 2019; 8(6):185. doi: 10.3390/foods8060185.

Hu WH, Pendergast JS, Mo XM, Brambilla R, Bracchi-Ricard V, Li F, Walters WM, Blits B, He L, Schaal SM, Bethea JR. NIBP, a novel NIK and IKK(beta)-binding protein that enhances NF-(kappa)B activation. J Biol Chem. 2005; 280(32): 29233-41. doi: 10.1074/jbc.M501670200.

Al-Sadi R, Guo S, Ye D, Rawat M, Ma TY. TNF-α Modulation of Intestinal Tight Junction Permeability Is Mediated by NIK/IKK-α Axis Activation of the Canonical NF-κB Pathway. Am J Pathol. 2016; 186(5): 1151-65. doi: 10.1016/j.ajpath.2015.12.016.

Gamble C, McIntosh K, Scott R, Ho KH, Plevin R, Paul A. Inhibitory kappa B Kinases as targets for pharmacological regulation. Br J Pharmacol. 2012; 165(4): 802-19. doi: 10.1111/j.1476-5381.2011.01608.x.

Wang Bloom MJ, Saksena SD, Swain GP, Behar MS, Yankeelov TE, Sorace AG. The effects of IKK-beta inhibition on early NF-kappa-B activation and transcription of downstream genes. Cell Signal. 2019; 55: 17-25. doi: 10.1016/j.cellsig.2018.12.004.

Remels AH, Gosker HR, Langen RC, Polkey M, Sliwinski P, Galdiz J, van den Borst B, Pansters NA, Schols AM. Classical NF-κB activation impairs skeletal muscle oxidative phenotype by reducing IKK-α expression. Biochim Biophys Acta. 2014; 1842(2): 175-85. doi: 10.1016/j.bbadis.2013.11.001.

Remels AH, Gosker HR, Verhees KJ, Langen RC, Schols AM. TNF-α-induced NF-κB activation stimulates skeletal muscle glycolytic metabolism through activation of HIF-1α. Endocrinology. 2015; 156(5): 1770-81. doi: 10.1210/en.2014-1591.

Yang F, Tang E, Guan K, Wang CY. IKK beta plays an essential role in the phosphorylation of RelA/p65 on serine 536 induced by lipopolysaccharide. J Immunol. 2003; 170(11): 5630-5. doi: 10.4049/jimmunol.170.11.5630.

Mao QQ, Xu XY, Cao SY, Gan RY, Corke H, Beta T, Li HB. Bioactive Compounds and Bioactivities of Ginger (Zingiber officinale Roscoe). Foods. 2019; 8(6): 185. doi: 10.3390/foods8060185.

Rahmani AH, Shabrmi FM, Aly SM. Active ingredients of ginger as potential candidates in the prevention and treatment of diseases via modulation of biological activities. Int J Physiol Pathophysiol Pharmacol. 2014; 6(2): 125-36.

Ansori ANM, Fadholly A, Hayaza S, Susilo RJK, Inayatillah B, Winarni D, Husen SA. A Review on Medicinal Properties of Mangosteen (Garcinia mangostana L.). Res J Pharm Techol. 2020; 13(2):974-982. doi: 10.5958/0974-360X.2020.00182.1.

Husen SA, Wahyuningsih SPA, Ansori ANM, Hayaza S, Susilo RJK, Winarni D, Punnapayak H, Darmanto W. Antioxidant Potency of Okra (Abelmoschus esculentus Moench) Pods Extract on SOD Level and Tissue Glucose Tolerance in Diabetic Mice. Res J Pharm Technol. 12(12): 5683. doi: 10.5958/0974-360X.2019.00983.1.

Husen SA, Setyawan MF, Syadzha MF, Susilo RJK, Hayaza S, Ansori ANM, Alamsjah MA, Ilmi ZN, Wulandari PAC, Pudjiastuti P, Awang P, Winarni D. A Novel Therapeutic effects of Sargassum ilicifolium Alginate and Okra (Abelmoschus esculentus) Pods extracts on Open wound healing process in Diabetic Mice. Research J. Pharm. and Tech 2020; 13(6): 2764-2770. doi: 10.5958/0974-360X.2020.00491.6.

Kharisma VD, Kharisma SD, Ansori ANM, Kurniawan HP, Witaningrum AM, Fadholly A, Tacharina MR. Antiretroviral Effect Simulation from Black Tea (Camellia sinensis) via Dual Inhibitors Mechanism in HIV-1 and its Social Perspective in Indonesia. Res J Pharm Technol. 2021; 14(1): 455-460. doi: 10.5958/0974-360X.2021.00083.4.

Fadholly A, Ansori ANM, Kharisma VD, Rahmahani J, Tacharina MR. Immunobioinformatics of Rabies Virus in Various Countries of Asia: Glycoprotein Gene. Res J Pharm Technol. 2021; 14(2): 883-886. doi: 10.5958/0974-360X.2021.00157.8.

Ansori ANM, Fadholly A, Proboningrat A, Hayaza S, Susilo RJK, Naw SW, Posa GAV, Yusrizal YF, Sibero MT, Sucipto TH, Soegijanto S. In vitro antiviral activity of Pinus merkusii (Pinaceae) stem bark and cone against dengue virus type-2 (DENV-2). Res J Pharm Technol. 2021; 14(7):3705-8. doi: 10.52711/0974-360X.2021.00641.

Ansori ANM, Kharisma VD, Fadholly A, Tacharina MR, Antonius Y, Parikesit AA. Severe Acute Respiratory Syndrome Coronavirus-2 Emergence and Its Treatment with Alternative Medicines: A Review. Res J Pharm Technol. 2021; 14(10):5551-7. doi: 10.52711/0974-360X.2021.00967

Husen SA, Ansori ANM, Hayaza S, Susilo RJK, Zuraidah AA, Winarni D, Punnapayak H, Darmanto W. Therapeutic Effect of Okra (Abelmoschus esculentus Moench) Pods Extract on Streptozotocin-Induced Type-2 Diabetic Mice. Res J Pharm Technol. 2019; 12(8):3703-3708. doi: 10.5958/0974-360X.2019.00633.4.

Ansori ANM, Kharisma VD, Solikhah TI. Medicinal properties of Muntingia calabura L.: A Review. Res J Pharm Technol. 2021; 14(8):4509-2. doi: 10.52711/0974-360X.2021.00784.

Proboningrat A, Kharisma VD, Ansori ANM, Rahmawati R, Fadholly A, Posa GAV, Sudjarwo SA, Rantam FA, Achmad AB. In silico Study of Natural inhibitors for Human papillomavirus-18 E6 protein. Res J Pharm Technol. 2022; 15(3):1251-6. doi: 10.52711/0974-360X.2022.00209.

Kharisma VD, Agatha A, Ansori ANM, Widyananda MH, Rizky WC, Dings TGA, Derkho M, Lykasova I, Antonius Y, Rosadi I, Zainul R. Herbal combination from Moringa oleifera Lam. and Curcuma longa L. as SARS-CoV-2 antiviral via dual inhibitor pathway: A viroinformatics approach. J Pharm Pharmacogn Res. 2022; 10(1): 138-146.

Nugraha AP, Rahmadhani D, Puspitaningrum MS, Rizqianti Y, Kharisma VD, Ernawati DS. Molecular docking of anthocyanins and ternatin in Clitoria ternatea as coronavirus disease oral manifestation therapy. J Adv Pharm Technol Res. 2021; 12 (4): 362-367. doi: 10.4103/japtr.japtr_126_21.

Wijaya RM, Hafidzhah MA, Kharisma VD, Ansori ANM, Parikesit AA. COVID-19 In Silico Drug with Zingiber officinale Natural Product Compound Library Targeting the Mpro Protein. Makara J Sci. 2021; 25(3): 162-171. doi: 10.7454/mss.v25i3.1244.

Prahasanti C, Nugraha AP, Kharisma VD, Ansori ANM, Devijanti R, Ridwan TPSP, Ramadhani NF, Narmada IB, Ardani IGAW, Noor TNEBA. A bioinformatic approach of hydroxyapatite and polymethylmethacrylate composite exploration as dental implant biomaterial. J Pharm & Pharmacogn Res. 2021; 9(5): 746-754.

Published

2022-06-09

How to Cite

Md. Emdad Ullah, Rasyadan Taufiq Probojati, Ahmad Affan Ali Murtadlo, Muhammad Badrut Tamam, & Sin War Naw. (2022). Revealing of Antiinflamatory Agent from Zingiber officinale var. Roscoe via IKK-B Inhibitor Mechanism through In Silico Simulation. SAINSTEK International Journal on Applied Science, Advanced Technology and Informatics, 1(01), 14–19. https://doi.org/10.24036/sainstek/vol1-iss01/4

Most read articles by the same author(s)