STUDI IN SILICO SENYAWA BIOAKTIF DALAM DAUN ZAITUN (Olea europaea L.) SEBAGAI ACE INHIBITOR DALAM HIPERTENSI
DOI:
https://doi.org/10.36423/pharmacoscript.v7i2.1763Keywords:
Penambatan Molekuler, ACE Inhibitors, Hipertensi, Daun ZaitunAbstract
Daun zaitun (Olea europaea L.) telah diketahui memiliki efek penurunan tekanan darah dengan salah satu mekanismenya ialah mempengaruhi aktivitas angiotensin-converting enzyme (ACE), namun aktivitas molekuler pada enzim tersebut masih belum ditelusuri. Studi ini bertujuan untuk mengevaluasi potensi senyawa metabolit sekunder dari daun zaitun terkait dengan karakteristik fisikokimiawi dan profil ADMET, serta interaksinya terhadap ACE melalui studi komputasi. Berdasarkan Samy et al., 2022, dipilih 10 senyawa daun zaitun yang memenuhi Rule of Five dari beberapa senyawa diteliti serta dievaluasi berdasarkan kaidah Lipinski, profil ADMET, skrining farmakofor, dan penambatan molekul. Berdasarkan hasil studi yang dilakukan, senyawa oleuropein aglikon menunjukkan aktivitas paling potensial terhadap target protein ACE (kode PDB: 3BKL) dengan data nilai ikatan bebas dan konstanta inhibisi paling kecil yaitu -7,73 kkal/mol dan 2,16 µM, serta memiliki interaksi pada residu asam amino HIS A: 513 dan TYR A: 523. Hasil studi ini menambah bukti saintifik terkait pengaruh senyawa bioaktif pada daun zaitun khususnya oleuropein aglikon terhadap protein ACE sehingga berpotensi dalam memberikan efek penurunan tekanan darah.
References
Baccouri, B., Rajhi, I., Theresa, S., Najjar, Y., Mohamed, S. N., & Willenberg, I. (2022). The potential of wild olive leaves (Olea europaea L. subsp. oleaster) addition as a functional additive in olive oil production: The effects on bioactive and nutraceutical compounds using LC–ESI–QTOF/MS. European Food Research and Technology, 248(11), 2809-2823.
Choudhury, C., & Sastry, G. N. (2019). Pharmacophore Modelling and Screening: Concepts, Recent Developments and Applications in Rational Drug Design (pp. 25–53).
Heidenreich, P. A., Bozkurt, B., Aguilar, D., Allen, L. A., Byun, J. J., Colvin, M. M., Deswal, A., Drazner, M. H., Dunlay, S. M., Evers, L. R., Fang, J. C., Fedson, S. E., Fonarow, G. C., Hayek, S. S., Hernandez, A. F., Khazanie, P., Kittleson, M. M., Lee, C. S., Link, M. S., Milano, C. A., … Yancy, C. W. (2022). 2022 AHA/ACC/HFSA Guideline for the Management of Heart Failure: A Report of the American College of Cardiology/American Heart Association Joint Committee on Clinical Practice Guidelines. Circulation, 145(18), e895–e1032. https://doi.org/10.1161/CIR.0000000000001063
Miao, H., Zou, C., Yang, S., Chia, Y. C., Van Huynh, M., Sogunuru, G. P., Tay, J. C., Wang, T. D., Kario, K., & Zhang, Y. (2022). Targets and management of hypertension in heart failure: focusing on the stages of heart failure. Journal of clinical hypertension (Greenwich, Conn.), 24(9), 1218–1225. https://doi.org/10.1111/jch.14553
Kemenkes RI. (2016). Infodatin Hipertensi. Kementerian Kesehatan RI, 1–5.
Lipinski C. A. (2004). Lead- and drug-like compounds: the rule-of-five revolution. Drug discovery today. Technologies, 1(4), 337–341. https://doi.org/10.1016/j.ddtec.2004.11.007
National Center for Biotechnology Information (2024). PubChem Compound Summary for CID 5280443, Apigenin. Retrieved June 7, 2024 from https://pubchem.ncbi.nlm.nih.gov/compound/Apigenin.
National Center for Biotechnology Information (2024). PubChem Compound Summary for CID 5280704, Apigetrin. Retrieved June 7, 2024 from https://pubchem.ncbi.nlm.nih.gov/compound/Apigetrin.
National Center for Biotechnology Information (2024). PubChem Compound Summary for CID 9064, Cianidanol. Retrieved June 7, 2024 from https://pubchem.ncbi.nlm.nih.gov/compound/Cianidanol.
National Center for Biotechnology Information (2024). PubChem Compound Summary for CID 82755, hidroksitirosol. Retrieved June 7, 2024 from https://pubchem.ncbi.nlm.nih.gov/compound/hidroksitirosol.
National Center for Biotechnology Information (2024). PubChem Compound Summary for CID 5280445, Luteolin. Retrieved June 7, 2024 from https://pubchem.ncbi.nlm.nih.gov/compound/Luteolin.
National Center for Biotechnology Information (2024). PubChem Compound Summary for CID 18684078, oleacein. Retrieved June 7, 2024 from https://pubchem.ncbi.nlm.nih.gov/compound/oleacein.
National Center for Biotechnology Information (2024). PubChem Compound Summary for CID 5280805, Rutin. Retrieved June 7, 2024 from https://pubchem.ncbi.nlm.nih.gov/compound/Rutin.
National Center for Biotechnology Information (2024). PubChem Compound Summary for CID 10393, Tyrosol. Retrieved June 7, 2024 from https://pubchem.ncbi.nlm.nih.gov/compound/Tyrosol.
National Center for Biotechnology Information (2024). PubChem Compound Summary for CID 5280343, kuersetin. Retrieved June 7, 2024 from https://pubchem.ncbi.nlm.nih.gov/compound/kuersetin.
Pujiastuti, D.Y., Amin, M. N. G., Alamsjah, M. A., dan Hsu, J.-L. Marine Organisms as Potential Sources of Bioactive Peptides that Inhibit the Activity of Angiotensin I-Converting Enzyme: A Review. Molecules, 24(14), 2451-2466.
Rauwald, H. W., Brehm, 0., Odenthal, K. (1994). P.: Screening of Nine Vasoactive Medicinal Plants for their Possible Calcium Antagonistic Activity. Strategy of Selection and Isolation for the Active Principles of Olea europaea and Peucedanum ostruthium. Phytother. Res. 8: 135-140, 1994
Romero, M., Toral, M., Gómez-Guzmán, M., Jiménez, R., Galindo, P., Sánchez, M., Olivares, M., Gálvez, J., & Duarte, J. (2016). Antihypertensive effects of oleuropein-enriched olive leaf extract in spontaneously hypertensive rats. Food & function, 7(1), 584–593. https://doi.org/10.1039/c5fo01101a
Scheffler, A., Rauwald, H. W., Kampa, B., Mann, U., Mohr, F. W., & Dhein, S. (2008). Olea europaea leaf extract exerts L-type Ca(2+) channel antagonistic effects. Journal of ethnopharmacology, 120(2), 233–240. https://doi.org/10.1016/j.jep.2008.08.018
World Health Organization. (2021). Guideline for the pharmacological treatment of hypertension in adults. Geneva: World Health Organization. Licence: CC BY-NC-SA 3.0 IGO.
World Health Organization. (2023). Hypertension Indonesia 2023 Country Profile. Dapat diakses online https://www.who.int/publications/m/item/hypertension-idn-2023-country-profile. [Diakses pada 7 Mei 2024].
Zhao, J., Cao, Y., & Zhang, L. (2020). Exploring the Computational Methods for Protein- Ligand Binding Site Prediction. Computational and Structural Biotechnology Journal. 8, 417-426.
Downloads
Published
Issue
Section
License
Copyright (c) 2024 Rizal Alya Izzati Zhafira, Putri Salma Chiara, Aisyah Tasza Noor, Ardhita Marshella Dhanu, Rusdin Agus, Fathin Nayla Maymuna, Novitasari Dhania
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Authors who publish with this journal agree to the following terms:
- Authors retain copyright and grant the journal right of first publication, with the work [SPECIFY PERIOD OF TIME] after publication simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See The Effect of Open Access).