Effect of Kelakai (Stenochlaena palutris) Extract on Organophosphate Pesticide Exposure: Cytotoxic Studies in Ovo and in Silico

Nafisah Nafisah, Sarmila Sarmila, Hanna Habibah, Indah Saputri, Indah Setiawati, N. Komari
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Abstract

Vegetable farmers in South Kalimantan use pesticides to protect crops from pests. The active ingredient of the pesticide has a broad toxic effect on target and non-target organisms. Continuous exposure to pesticides causes cancer. The plant of mantle (Stenochlaena palustris) is thought to have potential cytotoxic activity against cancer cell growth. The aim of this study was to examine the potential activity of chemical compounds in anaplastic lymphoma kinase (ALK) exposed to organophosphate pesticides in silico and in ovo. The in silico study used molecular docking and virtual screening methods. The methanol extract of malachite was obtained by maceration method. The in ovo study was carried out by injecting pesticide compounds and methanol extracts of methanol at doses of 0.5 and 1 ppm to free-range chicken eggs. The results of the in silico analysis showed that ethion and neophytadiene had the most negative G values, namely -8.62 kcal/mol and -8.39 kcal/mol, while the natural ligand 8 LY A 500 was -9.19 kcal/mol. The similarity of the type and number of residues in the binding complex between ethion and neophyadiene ligands with ALK protein indicates the potential for competition between ethion and neophyadiene when bound to ALK protein. Neofitadiene is suspected as a compound that has potential as anti-cancer by inhibiting the growth of ALK. Anchovy extract is considered to be able to slow down the rate of cell damage in chicken embryos caused by ethion with its inhibitory ability so that the cell surface is not damaged quickly.
Kelakai(Stenochlaena palutris)提取物对有机磷农药暴露的影响:卵细胞和硅学细胞毒性研究
南加里曼丹的菜农使用杀虫剂来保护作物免受虫害。杀虫剂的有效成分对目标生物和非目标生物具有广泛的毒性作用。持续接触杀虫剂会致癌。人们认为芒草(Stenochlaena palustris)对癌细胞的生长具有潜在的细胞毒性。本研究的目的是通过硅学研究和卵生研究,考察暴露于有机磷农药的无性淋巴瘤激酶(ALK)中的化合物的潜在活性。硅学研究采用了分子对接和虚拟筛选方法。孔雀石的甲醇提取物通过浸泡法获得。体内研究是通过向土鸡蛋中注入剂量为 0.5 和 1 ppm 的农药化合物和甲醇提取物来进行的。硅学分析结果表明,乙硫磷和新对二甲苯的负G值最大,分别为-8.62 kcal/mol和-8.39 kcal/mol,而天然配体8 LY A 500的负G值为-9.19 kcal/mol。乙硫磷和新戊二烯配体与 ALK 蛋白结合复合物中残基类型和数量的相似性表明,当与 ALK 蛋白结合时,乙硫磷和新戊二烯之间可能存在竞争。新戊二烯被怀疑是一种通过抑制 ALK 的生长而具有抗癌潜力的化合物。人们认为,凤尾鱼提取物具有抑制能力,能够减缓乙硫磷对鸡胚细胞的破坏速度,从而使细胞表面不会很快受到破坏。
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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