Antipyretic Drug Candidates Through Reverse Docking Techniques Used In Science Learning


Muhamad Iksan , Frida M Yusuf , Fitriani B , Wa Ode Al Zarliani






Vol. 9 No. 8 (2023): August


Antipyretic, Gingero, Red ginger, Reverse docking technique Shogaol

Research Articles


How to Cite

Iksan, M., Yusuf, F. M. ., Fitriani B, F., & Al Zarliani, W. O. . (2023). Antipyretic Drug Candidates Through Reverse Docking Techniques Used In Science Learning. Jurnal Penelitian Pendidikan IPA, 9(8), 6398–6405.


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Red ginger (Zingiber officinale var. Rubrum) is a commonly used rhizome known for its fragrant and spicy taste. It contains gingerol and shogaol compounds that have antipyretic effects by inhibiting prostaglandin formation and stimulating the production of interleukin-10, an endogenous antipyretic. This study aimed to evaluate the potential of gingerol and shogaol compounds as antipyretic drug candidates through reverse docking techniques targeting interleukin-10 (IL-10). Ten natural compounds from red ginger were predicted for their potential as antipyretic drugs and docked with the IL-10 receptor protein using various computer programs. The molecular docking results showed that (6)-shogaol had four amino acid bond residues that were the same as the ibuprofen control compound, indicating its potential as an antipyretic drug candidate. Furthermore, (6)-shogaol had the same binding affinity as the control compound and was safe for oral consumption based on pharmacokinetic and toxicity tests using Lipinski's Rule, Toxtree, and admet-T. These findings suggest that (6)-shogaol is a promising antipyretic drug candidate compared to other compounds. In conclusion, this study identified the potential of (6)-shogaol as an antipyretic drug candidate through reverse docking techniques targeting interleukin-10. Red ginger could provide a natural alternative for antipyretic drugs, and further research is recommended to explore the role of gingerol and shogaol compounds in targeting other proteins


Abdel-Hamid, M. K., & McCluskey, A. (2014). In Silico docking, molecular dynamics and binding energy insights into the bolinaquinone-clathrin terminal domain binding site. In Molecules (Vol. 19, Issue 5, pp. 6609–6622).

Andurkar, S. V., Reniguntala, M. S. J., Gulati, A., & Deruiter, J. (2014). Synthesis and antinociceptive properties of N-phenyl-N-(1-(2-(thiophen-2- yl)ethyl)azepane-4-yl)propionamide in the mouse tail-flick and hot-plate tests. Bioorganic and Medicinal Chemistry Letters, 24(2), 644–648.

da Cruz, R. M. D., Braga, R. M., de Andrade, H. H. N., Monteiro, Ã. B., Luna, I. S., da Cruz, R. M. D., Scotti, M. T., Mendonça-Junior, F. J. B., & de Almeida, R. N. (2020). RMD86, a thiophene derivative, promotes antinociceptive and antipyretic activities in mice. Heliyon, 6(11).

de Oliveira, J. F., Nonato, F. R., Zafred, R. R. T., Leite, N. M. S., Ruiz, A. L. T. G., de Carvalho, J. E., da Silva, A. L., de Moura, R. O., & Alves de Lima, M. do C. (2016). Evaluation of anti-inflammatory effect of derivative (E)-N-(4-bromophenyl)-2-(thiophen-2-ylmethylene)-thiosemicarbazone. Biomedicine and Pharmacotherapy, 80, 388–392.

Dinç, E., Ertekin, Z. C., & Ünal, N. (2020b). Three-way analysis of pH-UV absorbance dataset for the determination of paracetamol and its pKa value in presence of excipients. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 230, 118049.

Gao, Y., Lu, Y., Zhang, N., Udenigwe, C. C., Zhang, Y., & Fu, Y. (2022). Preparation, pungency and bioactivity of gingerols from ginger (Zingiber officinale Roscoe): a review. Critical Reviews in Food Science and Nutrition, 1–26.

Hong, Q. N., Gonzalez-Reyes, A., & Pluye, P. (2018). Improving the usefulness of a tool for appraising the quality of qualitative, quantitative and mixed methods studies, the Mixed Methods Appraisal Tool (MMAT). Journal of Evaluation in Clinical Practice, 24(3), 459–467.

Iqbal Farooqi, S., Arshad, N., Perveen, F., Ali Channar, P., Saeed, A., Javed, A., Hökelek, T., & Flörke, U. (2020). Structure and surface analysis of ibuprofen-organotin conjugate: Potential anti-cancer drug candidacy of the compound is proven by in-vitro DNA binding and cytotoxicity studies. Polyhedron, 192.

Ivanović, M., Makoter, K., & Razboršek, M. I. (2021). Comparative study of chemical composition and antioxidant activity of essential oils and crude extracts of four characteristic zingiberaceae herbs. Plants, 10(3), 1–20.

Kumar, K., Woo, S. M., Siu, T., Cortopassi, W. A., Duarte, F., & Paton, R. S. (2018). Cation-π interactions in protein-ligand binding: Theory and data-mining reveal different roles for lysine and arginine. Chemical Science, 9(10), 2655–2665.

Lobo-Silva, D., Carriche, G. M., Castro, A. G., Roque, S., & Saraiva, M. (2016). Balancing the immune response in the brain: IL-10 and its regulation. Journal of Neuroinflammation, 13(1), 1–10.

Mai, T. T., Nguyen, P. G., Le, M. T., Tran, T. D., Huynh, P. N. H., Trinh, D. T. T., Nguyen, Q. T., & Thai, K. M. (2022). Discovery of small molecular inhibitors for interleukin-33/ST2 protein–protein interaction: a virtual screening, molecular dynamics simulations and binding free energy calculations. Molecular Diversity, 26(5), 2659–2678.

Murugesan, S., Venkateswaran, M. R., Jayabal, S., & Periyasamy, S. (2020). Evaluation of the antioxidant and anti-arthritic potential of Zingiber officinale Rosc. by in vitro and in silico analysis. South African Journal of Botany, 130, 45–53.

Nair, A. S., & Paliwal, A. (2021). Systems pharmacology and molecular docking strategies prioritize natural molecules as antiinflammatory agents. In S. Gopi, A. Amalraj, A. Kunnumakkara, & S. B. T.-I. and N. P. Thomas (Eds.), Inflammation and Natural Products (pp. 281–317). Academic Press.

Novoselova, T. V, Chan, L. F., & Clark, A. J. L. (2018). Pathophysiology of melanocortin receptors and their accessory proteins. Best Practice & Research Clinical Endocrinology & Metabolism, 32(2), 93–106.

Prajitha, N., Athira, S. S., & Mohanan, P. V. (2018). Pyrogens, a polypeptide produces fever by metabolic changes in hypothalamus: Mechanisms and detections. Immunology Letters, 204, 38–46.

Prajitha, N., SS, A., & PV, M. (2019). Comprehensive biology of antipyretic pathways. Cytokine, 116, 120–127.

Roy, R., Ud Daula, A. F. M. S., Akter, A., Sultana, S., Barek, M. A., Liya, I. J., & Basher, M. A. (2019). Antipyretic and anti-nociceptive effects of methanol extract of leaves of Fimbristylis miliacea in mice model. Journal of Ethnopharmacology, 243.

Satheesh, D., Rajendran, A., & Chithra, K. (2020). Protein-ligand binding interactions of imidazolium salts with SARS CoV-2. Heliyon, 6(11).

Saxton, R. A., Tsutsumi, N., Su, L. L., Abhiraman, G. C., Mohan, K., Henneberg, L. T., Aduri, N. G., Gati, C., & Garcia, K. C. (2021). Structure-based decoupling of the pro- And anti-inflammatory functions of interleukin-10. Science, 371(6535), eabc8433.

Sehgal, S. A., Khattak, N. A., & Mir, A. (2013). Structural, phylogenetic and docking studies of D-amino acid oxidase activator (DAOA), a candidate schizophrenia gene. Theoretical Biology and Medical Modelling, 10(1), 3.

Singh, A. K., Kushwaha, P. P., Prajapati, K. S., Shuaib, M., Gupta, S., & Kumar, S. (2021). Identification of FDA approved drugs and nucleoside analogues as potential SARS-CoV-2 A1pp domain inhibitor: An in silico study. Computers in Biology and Medicine, 130, 104185.

Suharti, N., Dachriyanus, Lucida, H., Wahyuni, F. S., & Putra, P. P. (2022). In vitro Antioxidant Activity and Phytochemical Study of Arbuscular mycorrhizal Fungi Induced Red Ginger (Zingiber. officinale var. rubrum). Proceedings of the 2nd International Conference on Contemporary Science and Clinical Pharmacy 2021 (ICCSCP 2021), 40, 310–313.

Syafitri, D. M., Levita, J., Mutakin, M., & Diantini, A. (2018). A Review: Is Ginger (Zingiber officinale var. Roscoe) Potential for Future Phytomedicine? Indonesian Journal of Applied Sciences, 8(1).

Tsujikawa, H., Sato, K., Wei, C., Saad, G., Sumikoshi, K., Nakamura, S., Terada, T., & Shimizu, K. (2016). Development of a protein–ligand-binding site prediction method based on interaction energy and sequence conservation. Journal of Structural and Functional Genomics, 17(2–3), 39–49.

Vindrola-Padros, C., & Johnson, G. A. (2020). Rapid Techniques in Qualitative Research: A Critical Review of the Literature. Qualitative Health Research, 30(10), 1596–1604.

Wrotek, S., Sobocińska, J., Kozłowski, H. M., Pawlikowska, M., Jędrzejewski, T., & Dzialuk, A. (2020). New insights into the role of glutathione in the mechanism of fever. In International Journal of Molecular Sciences (Vol. 21, Issue 4).

Xie, Y., & Wang, C. (2023). Herb–drug interactions between Panax notoginseng or its biologically active compounds and therapeutic drugs: A comprehensive pharmacodynamic and pharmacokinetic review. In Journal of Ethnopharmacology (Vol. 307). Elsevier Ireland Ltd.

Yadav, D. K., Khan, F., & Negi, A. S. (2012). Pharmacophore modeling, molecular docking, QSAR, and in silico ADMET studies of gallic acid derivatives for immunomodulatory activity. Journal of Molecular Modeling, 18(6), 2513–2525.

Zhou, S. (2003). Separation and detection methods for covalent drug-protein adducts. In Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences (Vol. 797, Issues 1–2, pp. 63–90). Elsevier.

Author Biographies

Muhamad Iksan, Universitas Muhammadiyah Buton

Frida M Yusuf, Universitas Negeri Gorontalo

Fitriani B, Universitas Muhammadiyah Buton

Wa Ode Al Zarliani, Universitas Muhammadiyah Buton


Copyright (c) 2023 Muhamad Iksan, Frida M Yusuf, Fitriani B, Wa Ode Al Zarliani

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