Anticancer Activities of Seven Peronemins (A2, A3, B1, B2, B3, C1, and D1) from Peronema canescens Jack: A Prediction Studies

Muhammad Fikriansyah, Nelson Nelson, Madyawati Latief, Indra Lasmana Tarigan
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Abstract

Cancer is one of the leading causes of human death. In 2019, it was reported that cancer was the second (22%) cause of death due to non-communicable diseases in the world's population. Research for alternative anticancer drugs is still being done, including anticancer from plants. One of the plants that have the potential to be developed as an anticancer alternative is the sungkai plant. Sungkai leaves contain many bioactive compounds, one of which is the clerodane-type diterpenoids, peronemins, A2 (1), A3 (2), B1 (3), B2 (4), B3 (5), C1 (6), and D1 (7). The aim of this study was to initial screen the potential of seven Peronemins compounds in Sungkai leaves extract as anticancer candidates. Initial screening was carried out by predicting in-silico anticancer activity of the seven compounds. Dihydrofolate reductase inhibitor (DHFR inhibitor) is one of the anticancer activity screening approaches. DHFR Inhibitor activity from perenomins derivatives with pIC50 values ​​of 0.785 (A2), respectively; 0.785 (A3); 0.799 (B2); 0.799 (B3); 0.799 (C1 and D1). In addition, from compounds 1,2,3,4,5 peronemin derivatives have potential anticancer activity through interaction with the target protein Voltage-gated potassium channel subunit while compounds 6, 7 also have biological activity potential anticancer on target protein Dihydrofolate reductase.
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7种钙蛋白(A2、A3、B1、B2、B3、C1、D1)抗肿瘤活性的预测研究
癌症是人类死亡的主要原因之一。据报道,2019年,癌症是世界人口非传染性疾病导致的第二大死因(22%)。替代抗癌药物的研究仍在进行中,包括植物抗癌药物。其中一种有潜力被开发成抗癌替代品的植物是sunkai。松开叶中含有多种生物活性化合物,其中一种是氯罗丹型二萜,钙蛋白,A2 (1), A3 (2), B1 (3), B2 (4), B3 (5), C1(6)和D1(7)。本研究的目的是初步筛选松开叶提取物中7种钙蛋白化合物的抗癌潜力。通过预测这7个化合物的计算机抗癌活性进行初步筛选。二氢叶酸还原酶抑制剂(DHFR抑制剂)是筛选抗肿瘤活性的方法之一。二烯丙酸衍生物的DHFR抑制剂活性,pIC50值分别为0.785 (A2);0.785 (A3);0.799 (B2);0.799 (B3);0.799 (C1和D1)。此外,化合物1、2、3、4、5的钙钙蛋白衍生物通过与靶蛋白电压门控钾通道亚基的相互作用具有潜在的抗癌活性,化合物6、7对靶蛋白二氢叶酸还原酶也具有潜在的抗癌活性。
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