UJI AKTIVITAS ANTIHIPERTENSI EKSTRAK ETANOL JAHE MERAH (Zingiber officinale var. rubrum Roscoe) SECARA IN SILICO

Risti Zahroh, NIM. 17106040042 (2021) UJI AKTIVITAS ANTIHIPERTENSI EKSTRAK ETANOL JAHE MERAH (Zingiber officinale var. rubrum Roscoe) SECARA IN SILICO. Skripsi thesis, UIN SUNAN KALIJAGA YOGYAKARTA.

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Abstract

Hypertension or high blood pressure is a condition when there is an increase in blood pressure above the normal threshold (> 140/90 mmHg). One of the plants that is believed and used by the community as a hypertension drug is the red ginger plant. The bioactive compounds in red ginger (Zingiber officinale var. rubrum) are dominated by the terpene group which has the ability to inhibit the action of Angiontensin Converting Enzyme (ACE-inhibitor). The interaction between ACE-inhibitory peptides can be predicted by the in silico method. This study aims to analyze the results of screening compounds in red ginger ethanol extract using GC-MS, analyze the results of docking between the bioactive compound (ligand) and ACE protein (receptor), and analyze the prediction of physicochemical properties, LD50, Lipinski's law and ADME-Tox of the bioactive compound by in silico. The in silico method was used to predict the interaction and binding energy between bioactive compounds in red ginger ethanol extract (ligand) and ACE protein (receptor) which acts in blood pressure regulation. Compounds in the ethanolic extract of red ginger were analyzed by GC-MS. The results of GC-MS obtained as many as 5 compounds (zingiberene (45.99%), farnesene (22.60%), ß -sesquiphellandrene 19.61%), alpha-curcumene (10.91%) and trans-beta-Farnesene (0.89%). Based on docking results, the lowest bond energy among the 5 compounds was -6.55 kcal/mol at docking ACE-beta sesquiphellandrene. Ther docking result also show that the binding between the receptor and ligand doesn’t occur at the active site of ACE, this indicates yhat the ligand inhibition mechanism is a non- competitive inhibitor. Meanwhile, for prediction of physicochemical properties, all compounds can be categorized as good, for prediction of LD50, alpha-curcumene and zingiberene compounds are in the category of toxic group 4 and 3 other compounds are in the category of toxic group 5. Prediction of violation of Lipinski's law for all compounds is only 1 violation then for prediction of ADME- Tox of all test compounds can be categorized as good so that they qualify as good drug candidates. Based on these results, the red ginger ethanol extract can be proposed and tested further as a clinical candidate for antihypertensive drugs.

Item Type: Thesis (Skripsi)
Additional Information: Dr. Isma Kurniatanty, M. Si
Uncontrolled Keywords: Antihypertensive, red ginger, in silico method
Subjects: Biologi
Divisions: Fakultas Sains dan Teknologi > Biologi (S1)
Depositing User: Drs. Mochammad Tantowi, M.Si.
Date Deposited: 19 Nov 2021 09:19
Last Modified: 19 Nov 2021 09:19
URI: http://digilib.uin-suka.ac.id/id/eprint/46998

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