Potensi Anti-Inflamasi Senyawa Crotalaria Medicaginea terhadap COX-2: Studi In Silico Anti-Inflammatory Potential of Crotalaria medicaginea Compounds Against COX-2: An In Silico Study
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532-550
Digital Object Identifier:
10.58578/masaliq.v6i1.8955
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Authors:
Najla Dhifa Tofanny1, Fitri Amelia2 
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Abstract
This study was motivated by the limited number of in silico investigations examining the anti-inflammatory potential of bioactive compounds from Crotalaria medicaginea Lamk, despite the fact that inflammation is a pathological condition largely mediated by the cyclooxygenase-2 (COX-2) enzyme. The study aimed to analyze the potential interactions and binding affinities of bioactive compounds from Crotalaria medicaginea Lamk toward COX-2 as an anti-inflammatory target. A computational research design was employed using an in silico molecular docking approach. The research samples comprised the COX-2 enzyme structure obtained from the Protein Data Bank and bioactive compounds identified from the phytochemical data of Crotalaria medicaginea Lamk. Data were generated through ligand and protein preparation and subsequently analyzed using docking software to determine binding energy values and interaction patterns of amino acid residues at the active site of the enzyme. The results showed that one of the bioactive compounds exhibited stable binding affinity and was able to form interactions at the COX-2 active site, thereby supporting the theory that COX-2 inhibition can attenuate inflammatory responses. The study concludes that the bioactive compounds of Crotalaria medicaginea Lamk have the potential to be developed as anti-inflammatory candidates, with theoretical implications for enriching the literature on the use of medicinal plants based on in silico studies and practical implications as a basis for developing natural anti-inflammatory drugs. This research also opens up opportunities for further in vitro and in vivo studies to confirm the computational findings.
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References
Ali, A., Wani, A. B., Malla, B. A., Poyya, J., Dar, N. J., Ali, F., Ahmad, S. B., Rehman, M. U., & Nadeem, A. (2023). Network pharmacology integrated molecular docking and dynamics to elucidate saffron compounds targeting human COX-2 protein. Medicina, 59(12), 2058. https://doi.org/10.3390/medicina59122058
Aljawobaei, W., Ali, S. S. M., Thippeswamy, N. B., & Achur, R. (2025). Molecular docking and ADMET analysis of bioactive compounds from Simarouba glauca leaf extracts for anti-inflammatory and antioxidant activities. Discover Applied Sciences, 7, 1082. https://doi.org/10.1007/s42452-025-07429-9
Antari, L., Utami, W., Marni, L. G., & Ismed, G. H. M. (2024). Inhibition of cyclooxygenase-2 using bioactive compounds derived from Moringa oleifera through a molecular docking approach. Jurnal Kimia, 18(2), 177–185. https://doi.org/10.24843/jchem.2024.v18.i02.p11
Azanti Putri, R., Yogi Saputra, M., Natalia Enggelina, N., Windasari, L., & Luqman Ivansyah, A. (2025). Potensi Antiinflamasi Senyawa Bioaktif dari Syzygium myrtifolium: Studi Molecular Docking Bertarget COX-2. Jurnal Ilmiah Farmasi, 5(2).
Balkrishna, A., Pokhrel, S., Singh, H., Joshi, M., Mulay, V. P., Haldar, S., & Varshney, A. (2021). Withanone from Withania somnifera attenuates SARS-CoV-2 RBD and host ACE2 interactions to rescue spike protein induced pathologies in humanized zebrafish model. Drug Design, Development and Therapy, 15, 1111–1133. https://doi.org/10.2147/DDDT.S292805
Chen, X., Li, H., Tian, L., Li, Q., Luo, J., & Zhang, Y. (2020). Analysis of the physicochemical properties of acaricides based on Lipinski’s rule of five. Journal of Computational Biology, 27(9), 1397–1406. https://doi.org/10.1089/cmb.2019.0323
Ermawati, T., Wahyu Pratiwi, Q. A., Meilawaty, Z., & Harmono, H. (2023). The potency of polyphenols extract of robusta coffee bean (Coffea robusta) on COX-2 inhibition in neutrophil cells. Jurnal Kedokteran Brawijaya, 32(4), 205–210. https://doi.org/10.21776/ub.jkb.2023.032.04.1
Forcsa, D., Aulia Putri, D., Auliya, F., Putri Oktaviani, D., Nur Alia Rifda, E., Amelia, D., Raka Pratama B, D. P., Nabila, F., Aisyarini, D., & Iqbal Rhamadianto, M. (2025). Review Jurnal: Molecular Docking Senyawa Antiinflamasi terhadap Target Enzim COX-2. Jurnal Keuangan dan Manajemen Terapan, 6(3). https://ejurnals.com/ojs/index.php/jkmt
Ivanović, V., Rančić, M., Arsić, B., & Pavlović, A. (2020). Lipinski’s rule of five, famous extensions and famous exceptions. Popular Scientific Article, 3(1).
Ju, Z., Li, M., Xu, J., Howell, D. C., Li, Z., & Chen, F. E. (2022). Recent development on COX-2 inhibitors as promising anti-inflammatory agents: The past 10 years. Acta Pharmaceutica Sinica B, 12(6), 2790–2807. https://doi.org/10.1016/j.apsb.2022.01.002
Kusar, S., Saddiqe, Z., Ali, F., Bashir, S., & Zubairi, T. (2024). GCMS and HPLC profiling, antioxidant and anti-inflammatory activities of Crotalaria medicaginea Lamk. South African Journal of Botany, 168, 196–208. https://doi.org/10.1016/j.sajb.2024.03.014
Md Idris, M. H., Mohd Amin, S. N., Mohd Amin, S. N., Nyokat, N., Khong, H. Y., Selvaraj, M., Zakaria, Z. A., Shaameri, Z., Hamzah, A. S., Teh, L. K., & Salleh, M. Z. (2022). Flavonoids as dual inhibitors of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX): Molecular docking and in vitro studies. Beni-Suef University Journal of Basic and Applied Sciences, 11, 117. https://doi.org/10.1186/s43088-022-00296-y
Metkin, G., Süntar, İ., Şenol Deniz, F. S., Tugay, O., Demiralp, M., & Pittalà, V. (2025). Investigating COX-2 and 5-LOX enzyme-related anti-inflammatory and antioxidant activities and phytochemical features of Scutellaria salviifolia Benth. International Journal of Molecular Sciences, 26(12), 5608. https://doi.org/10.3390/ijms26125608
Nugroho, A. A., Hadi, M. S., Adianto, C., Putra, J. A. K., Purnomo, H., & Fakhrudin, N. (2023). Molecular docking and ADMET prediction studies of flavonoids as multi-target agents in COVID-19 therapy: Anti-inflammatory and antiviral approaches. Indonesian Journal of Pharmacy, 34(4), 651–664. https://doi.org/10.22146/ijp.4126
Okta Nursanti, A. A. G. H. (2022). Prediksi Toksisitas dan Farmakokinetika untuk Mendapatkan Kandidat Obat Analgesik. Journal of Noncommunicable Diseases, 3(1), 34–36.
Rahman, M. M., Afrin, M. F., Zong, C., Ichihara, G., Kimura, Y., Haque, M. A., & Wahed, M. I. I. (2024). Modification of ibuprofen to improve the medicinal effect; structural, biological, and toxicological study. Heliyon, 10(5), e27371. https://doi.org/10.1016/j.heliyon.2024.e27371
Roskoski, R. (2023). Rule of five violations among the FDA-approved small molecule protein kinase inhibitors. Pharmacological Research, 191, 106774. https://doi.org/10.1016/j.phrs.2023.106774
Siagian, J. I., Purnomo, H., & Sasmito, E. (2022). Studi In Silico Senyawa dalam Teripang sebagai Imunomodulator. Journal of Pharmaceutical and Sciences, 5(1), 33–41.
Tao, X., Huang, Y., Wang, C., Chen, F., Yang, L., Ling, L., Che, Z., & Chen, X. (2020). Recent developments in molecular docking technology applied in food science: A review. International Journal of Food Science & Technology, 55(1), 33–45. https://doi.org/10.1111/ijfs.14325
Thuion, T., Poeaim, S., & Poeaim, A. (2023). Phytochemical screening, antioxidant activity and total phenolic content of methanolic extract of Phak Wan Ton (Crotalaria medicaginea Lam.). International Journal of Agricultural Technology, 19(1), 277–290.