Department of Biotechnology, Manipal Institute of Technology, Manipal University, Manipal 576 104, India.
Food Chem Toxicol. 2010 Oct;48(10):2951-9. doi: 10.1016/j.fct.2010.07.032. Epub 2010 Jul 25.
Turmeric belongs to the ginger family Zingiberaceae. Currently, cheminformatics approaches are not employed in any of the spices to study the medicinal properties traditionally attributed to them. The aim of this study is to find the most efficacious molecule which does not have any toxic effects. In the present study, toxicity of 200 chemical compounds from turmeric were predicted (includes bacterial mutagenicity, rodent carcinogenicity and human hepatotoxicity). The study shows out of 200 compounds, 184 compounds were predicted as toxigenic, 136 compounds are mutagenic, 153 compounds are carcinogenic and 64 compounds are hepatotoxic. To cross validate our results, we have chosen the popular curcumin and found that curcumin and its derivatives may cause dose dependent hepatotoxicity. The results of these studies indicate that, in contrast to curcumin, few other compounds in turmeric which are non-mutagenic, non-carcinogenic, non-hepatotoxic, and do not have any side-effects. Hence, the cost-effective approach presented in this paper could be used to filter toxic compounds from the drug discovery lifecycle.
姜黄属于姜科植物。目前，化学信息学方法尚未应用于任何香料中，以研究传统上归因于它们的药用特性。本研究旨在寻找最有效且没有任何毒副作用的分子。在本研究中，预测了 200 种来自姜黄的化学化合物的毒性（包括细菌致突变性、啮齿动物致癌性和人类肝毒性）。研究表明，在 200 种化合物中，有 184 种被预测为有毒，136 种具有致突变性，153 种具有致癌性，64 种具有肝毒性。为了验证我们的结果，我们选择了流行的姜黄素，发现姜黄素及其衍生物可能会引起剂量依赖性肝毒性。这些研究的结果表明，与姜黄素相比，姜黄中的其他一些化合物是非致突变性、非致癌性、非肝毒性的，并且没有任何副作用。因此，本文提出的具有成本效益的方法可用于从药物发现生命周期中筛选有毒化合物。
