Antihypertension Activity Test oOf Red Ginger (Zingiber officinale Var. Rubrum Roscoe) Ethanol Extract by In Silico Method

Risti Zahroh, Isma Kurniatanty, J. Sholihah, E. Widowati
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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). The bioactive compounds in red ginger are dominated by the terpene group which has the ability to inhibit the action of Angiotensin Converting Enzyme (ACE-inhibitor). The interaction between ACE-inhibitory peptides can be predicted by the in silico method. 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 as an antihypertensive. The results of GC-MS obtained as many as 5 compounds (zingiberene, farnesene, ß -sesquiphellandrene, alpha-curcumene and trans-beta-farnesene. The docking results showed the lowest binding energy values ​​for each compound sequentially for ACE-trans beta farnesene, ACE-alpha curcumene, ACE-zingiberene, ACE-farnesene, ACE-beta sesquiphellandrene are -5.14 kcal/mol, -5.61 kcal/mol , -6.20 kcal/mol, -5.66 kcal/mol, and -6.55 kcal/mol. Based on these results, the lowest bond energy among the 5 compounds was -6.55 kcal/mol at ACE-beta sesquiphellandrene docking, so the red ginger ethanol extract can be proposed and tested further as a clinical candidate for antihypertensive drugs.
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硅片法测定红姜(Zingiber officinale Var. Rubrum Roscoe)乙醇提取物的降压活性
高血压是指血压高于正常阈值(> 140/90 mmHg)。红姜中的生物活性成分以萜烯族为主,具有抑制血管紧张素转换酶(ACE-inhibitor)的作用。ace抑制肽之间的相互作用可以用计算机方法预测。采用计算机模拟的方法预测了红姜乙醇提取物(配体)中生物活性化合物与抗高血压ACE蛋白(受体)的相互作用和结合能。气相色谱-质谱分析得到了5种化合物(姜黄烯、法尼烯、ß -倍半黄烯、α -姜黄烯和反式-法尼烯)。对接结果表明,ace -反式法尼烯、ace - α姜黄烯、ace -姜绿烯、ace -法尼烯、ace - β倍半黄烯的最低结合能依次为-5.14 kcal/mol、-5.61 kcal/mol、-6.20 kcal/mol、-5.66 kcal/mol和-6.55 kcal/mol。以上结果表明,在ace - β倍半蓝烯对接时,5个化合物的键能最低为-6.55 kcal/mol,因此可以进一步提出并测试红姜乙醇提取物作为抗高血压药物的临床候选药物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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