Molecular docking of some alkaloid compounds of pule pandak plant (Rauvolfia serpentina L.) towards angiotensin converting enzyme as antihypertension

  • Annisa Nur Rahma Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Revin Rindra Aghalfi Aghalfi Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Diva Selviana Panggabean Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Hanny Muflihah Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Adisti Faradilla Gusman Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Yasinta Sahma Aulia Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Putu Ayu Regita Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Winni Nur Auli Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung http://orcid.org/0000-0001-6918-0319
  • Anjar Hermadi Saputro Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung https://orcid.org/0000-0002-9365-0461
Keywords: molecular docking, alkaloid, pule pandak, antihypertension

Abstract

Every year, 1.5 billion people suffer from hypertension and 9.4 million people die from hypertension and complications. so that the development of hypertension drugs with natural compounds. The aim of this research is to analyze the activity of alkaloid compounds in the pule pandak plant (Rauvolfia serpentina L.) as an antihypertensive agent using an in silico approach through a molecular docking procedure. The four alkaloid compounds explored, namely ajmalina, rescinnamine, reserpine, and serpentina, were assessed against the target protein 1UZF. The low binding energy value indicates that ajmalina has a strong affinity for the target protein, so it has the potential to be an effective antihypertensive agent. The docking results show the lowest binding energy in ajmalina, with a value of -5.89 kcal/mol, indicating greater potential compared to other compounds. Reserpine showed the most residue interactions with 11 residue interactions and 2 hydrogen bonds, indicating significant bond strength. This research contributes to understanding the potential of alkaloid compounds from the pule pandak plant as an antihypertensive agent through a computational molecular docking approach

Published
2024-09-02
How to Cite
Rahma, A. N., Aghalfi, R. R. A., Panggabean, D. S., Muflihah, H., Gusman, A. F., Aulia, Y. S., Regita, P. A., Auli, W. N., & Saputro, A. H. (2024). Molecular docking of some alkaloid compounds of pule pandak plant (Rauvolfia serpentina L.) towards angiotensin converting enzyme as antihypertension. Pharmacy Reports, 2(3), 69. https://doi.org/10.51511/pr.69