Analisis Mekanisme Antihiperlipidemia Pada Senyawa Tanaman Urang Aring (Eclipta prostrata) Melalui In Silico

Authors

  • Jordan Saputra Program Studi Farmasi, Fakultas Farmasi, Universitas Buana Perjuangan Karawang

Abstract

Hiperlipidemia merupakan gangguan metabolisme lipid yang ditandai peningkatan kadar kolesterol dan trigliserida serta menjadi faktor risiko utama penyakit kardiovaskular. Senyawa bahan alam dengan mekanisme multi-target berpotensi menjadi kandidat terapi alternatif. Penelitian ini bertujuan menganalisis mekanisme antihiperlipidemia senyawa aktif Eclipta prostrata menggunakan pendekatan in silico. Penelitian dilakukan melalui identifikasi metabolit sekunder, screening ADME, prediksi target protein, network pharmacology, molecular docking, dan molecular dynamics. Sebanyak 53 senyawa dianalisis dan 40 memenuhi parameter ADME. Analisis menunjukkan AKT1 merupakan target utama yang berhubungan dengan jalur PI3K/AKT. Docking menunjukkan ligand+h (−9,98 kcal/mol), stigmasterol (−9,75 kcal/mol), dan verazine (−9,50 kcal/mol) memiliki afinitas tinggi. Molecular dynamics menunjukkan interaksi protein dan ligan stabil selama simulasi. Stigmasterol diprediksi sebagai kandidat antihiperlipidemia paling potensial dari Eclipta prostrata.

References

Adomako, A. K., Gasu, E. N., Mensah, J. O., & Borquaye, L. S. (2024). Antileishmanial natural products as potential inhibitors of the Leishmania pteridine reductase: insights from molecular docking and molecular dynamics simulations. In Silico Pharmacology, 12(2). https://doi.org/10.1007/s40203-024-00247-8

Ali, I., Iqbal, M. N., Ibrahim, M., Haq, I. U., Alonazi, W. B., & Siddiqi, A. R. (2023). Computational exploration of novel ROCK2 inhibitors for cardiovascular disease management; insights from high-throughput virtual screening, molecular docking, DFT and MD simulation. PLoS ONE, 18(11 November). https://doi.org/10.1371/journal.pone.0294511

Andriyas, E. A., & Hussain, I. (2023). Dyslipidemia: Classification, Etiology and Management-A Systemic Review. International Journal of Pharmaceutical Research and Applications, 8, 241. https://doi.org/10.35629/7781-0806241244

Arafani, M. S. H., Prasetyo, D. T., Illah, M. N. N., Ariningtyas, N., & Ma’ruf, M. Z. (2025). Studi In Silico Perbandingan Aktivitas Penghambatan Senyawa dari Kulit Buah Manggis dan Obat Sintetis Ethambutol sebagai Inhibitor Protein Mycobacterium tuberculosis. Bioed : Jurnal Pendidikan Biologi, 13(1), 34. https://doi.org/10.25157/jpb.v13i1.18118

Baroroh, U., Muscifa, Z. S., Destiarani, W., Rohmatullah, F. G., & Yusuf, M. (2023). Molecular interaction analysis and visualization of protein-ligand docking using Biovia Discovery Studio Visualizer. Indonesian Journal of Computational Biology (IJCB), 2(1), 22. https://doi.org/10.24198/ijcb.v2i1.46322

Cheeley, M. K., Saseen, J. J., Agarwala, A., Ravilla, S., Ciffone, N., Jacobson, T. A., Dixon, D. L., & Maki, K. C. (2022). NLA scientific statement on statin intolerance: a new definition and key considerations for ASCVD risk reduction in the statin intolerant patient. Journal of Clinical Lipidology, 16(4), 361–375. https://doi.org/10.1016/j.jacl.2022.05.068

Daina, A., & Zoete, V. (2016). A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules. ChemMedChem, 1117–1121. https://doi.org/10.1002/cmdc.201600182

Gheidari, D., Mehrdad, M., & karimelahi, Z. (2024). Virtual screening, ADMET prediction, molecular docking, and dynamic simulation studies of natural products as BACE1 inhibitors for the management of Alzheimer’s disease. Scientific Reports, 14(1). https://doi.org/10.1038/s41598-024-75292-6

Hakiki, A., Banjarmasin, M., & Selatan, K. (2024). Studi Molecular Docking dan Prediksi ADMET Senyawa Turunan Kurkumin Sebagai Inhibitor Kasein Kinase 2-α. Jurnal Ilmu Kefarmasian, 5(2). https://www.rcsb.org/.

Ja’afaru, S. C., Uzairu, A., Bayil, I., Sallau, M. S., Ndukwe, G. I., Ibrahim, M. T., Moin, A. T., Mollah, A. K. M. M., & Absar, N. (2024). Unveiling potent inhibitors for schistosomiasis through ligand-based drug design, molecular docking, molecular dynamics simulations and pharmacokinetics predictions. PLoS ONE, 19(6 June). https://doi.org/10.1371/journal.pone.0302390

Karim, M. R., Morshed, M. N., Iqbal, S., Mohammad, S., Mathiyalagan, R., Yang, D. C., Kim, Y. J., Song, J. H., & Yang, D. U. (2023). A Network Pharmacology and Molecular-Docking-Based Approach to Identify the Probable Targets of Short-Chain Fatty-Acid-Producing Microbial Metabolites against Kidney Cancer and Inflammation. Biomolecules, 13(11). https://doi.org/10.3390/biom13111678

Ndoj, K., Meurs, A., Papaioannou, D., Bjune, K., & Zelcer, N. (2025). The low-density lipoprotein receptor: Emerging post-transcriptional regulatory mechanisms. In Atherosclerosis (Vol. 401). Elsevier Ireland Ltd. https://doi.org/10.1016/j.atherosclerosis.2024.119082

Pagadala, N. S., Syed, K., & Tuszynski, J. (2017). Software for molecular docking: a review. In Biophysical Reviews (Vol. 9, Number 2, pp. 91–102). Springer Verlag. https://doi.org/10.1007/s12551-016-0247-1

Phan, T. K. P., Wang, S. L., Nguyen, Q. V., Phan, T. Q., Nguyen, T. T., Tran, T. T. T., Nguyen, A. D., Nguyen, V. B., & Doan, M. D. (2023). Assessment of the Chemical Profile and Potential Medical Effects of a Flavonoid-Rich Extract of Eclipta prostrata L. Collected in the Central Highlands of Vietnam. Pharmaceuticals, 16(10). https://doi.org/10.3390/ph16101476

Rouhani, M., Khodabakhsh, F., Norouzian, D., Cohan, R. A., & Valizadeh, V. (2018). Molecular dynamics simulation for rational protein engineering: Present and future prospectus. Journal of Molecular Graphics and Modelling, 84, 43–53. https://doi.org/10.1016/j.jmgm.2018.06.009

Shantaram Dawange, C., Uttareshwar Landge, A., Koshti, S. V, Govinda Patil, V., & Amit Shinde, S. (2024). INTERNATIONAL JOURNAL OF PROGRESSIVE RESEARCH IN ENGINEERING MANAGEMENT AND SCIENCE (IJPREMS) (Int Peer Reviewed MOLECULAR DOCKING STUDIES OF PLANT-DERIVED COMPOUNDS IN DRUG DISCOVERY: A COMPREHENSIVE REVIEW. Journal, 04(09), 629–637. www.ijprems.com

Stoll, F., Eidam, A., Michael, L., Bauer, J. M., & Haefeli, W. E. (2022). Drug Treatment of Hypercholesterolemia in Older Adults: Focus on Newer Agents. Drugs and Aging, 39(4), 251–256. https://doi.org/10.1007/s40266-022-00928-z

Wathon, S., Oktarianti, R., & Senjarini, K. (2024). Molecular Docking of Interaction between D7 Protein from the Salivary Gland of Aedes aegypti and Leukotriene A4 for Developing Thrombolytic Agent. BIO Web of Conferences, 101. https://doi.org/10.1051/bioconf/202410104002

World Health Organization. (2023). Cardiovascular diseases (CVDs). https://www.who.int/news-room/fact-sheets/detail/cardiovascular-diseases-(cvds)

Xia, X. D., Peng, Z. S., Gu, H. M., Wang, M., Wang, G. Q., & Zhang, D. W. (2021). Regulation of PCSK9 Expression and Function: Mechanisms and Therapeutic Implications. In Frontiers in Cardiovascular Medicine (Vol. 8). Frontiers Media S.A. https://doi.org/10.3389/fcvm.2021.764038

Yuan, Y., Wen Chen, Lei Luo, & Chen Xu. (2021). Dyslipidemia: Causes, Symptoms and Treatment. International Journal of Trend in Scientific Research and Development (IJTSRD), 5(2), 1013–1016. https://www.researchgate.net/publication/350153323

Zhou, S., Ai, Z., Li, W., You, P., Wu, C., Li, L., Hu, Y., & Ba, Y. (2020). Deciphering the Pharmacological Mechanisms of Taohe-Chengqi Decoction Extract Against Renal Fibrosis Through Integrating Network Pharmacology and Experimental Validation In Vitro and In Vivo. Frontiers in Pharmacology, 11. https://doi.org/10.3389/fphar.2020.00425

Downloads

Published

2026-09-01