Absalan Abdorrahim, Mesbah-Namin Seyed Alireza, Tiraihi Taki, Taheri Taher
Department of Clinical Biochemistry, Faculty of Medical Sciences, Tarbiat Modares University, Tehran, Iran.
Department of Anatomical Sciences, Faculty of Medical Sciences, Tarbiat Modares University, Tehran, Iran.
Avicenna J Phytomed. 2016 Nov-Dec;6(6):643-657.
The aim of this study was to estimate the cheminformatics and qualitative structure-activity relationship (QSAR) of cinnamaldehyde and eugenol. The effects of cinnamaldehyde and eugenol on the viability, doubling time and adipogenic or osteogenic differentiations of human adipose-derived mesenchymal stem cells (hASCs) were also investigated.
QSAR and toxicity indices of cinnamaldehyde and eugenol were evaluated using cheminformatics tools including Toxtree and Toxicity Estimation Software Tool (T.E.S.T) and molinspiration server. Besides, their effects on the hASCs viability, doubling time and differentiation to adipogenic or osteogenic lineages were evaluated.
Cinnamaldehyde is predicted to be more lipophilic and less toxic than eugenol. Both phytochemicals may be developmental toxicants. They probably undergo hydroxylation and epoxidation reactions by cytochrome-P450. The 2.5 µM/ml cinnamaldehyde and 0.1 µg/ml eugenol did not influence hASCs viability following 72 hr of treatment. But higher concentrations of these phytochemicals insignificantly increased hASCs doubling time till 96 hr, except 1 µg/ml eugenol for which the increase was significant. Only low concentrations of both phytochemicals were tested for their effects on the hASCs differentiation. The 2.5 µM/ml cinnamaldehyde and 0.1 µg/ml eugenol enhanced the osteogenesis and decreased the adipogenesis of hASCs meaningfully.
According to the cheminformatics analysis and study, cinnamaldehyde and eugenol are biocompatible and low toxic for hASCs. Both phytochemicals may be suitable for regenerative medicine and tissue engineering when used at low concentrations, but maybe useful for neoplastic growth inhibition when used at high concentrations.
本研究旨在评估肉桂醛和丁香酚的化学信息学及定性构效关系(QSAR)。还研究了肉桂醛和丁香酚对人脂肪间充质干细胞(hASCs)活力、倍增时间以及成脂或成骨分化的影响。
使用包括Toxtree、毒性估计软件工具(T.E.S.T)和molinspiration服务器在内的化学信息学工具评估肉桂醛和丁香酚的QSAR及毒性指标。此外,评估它们对hASCs活力、倍增时间以及向成脂或成骨谱系分化的影响。
预测肉桂醛比丁香酚更具亲脂性且毒性更低。这两种植物化学物质都可能是发育毒物。它们可能通过细胞色素P450发生羟基化和环氧化反应。处理72小时后,2.5 μM/ml的肉桂醛和0.1 μg/ml的丁香酚对hASCs活力没有影响。但这些植物化学物质的较高浓度在96小时内对hASCs倍增时间的增加不显著,除了1 μg/ml的丁香酚,其增加是显著的。仅测试了这两种植物化学物质的低浓度对hASCs分化的影响。2.5 μM/ml的肉桂醛和0.1 μg/ml的丁香酚显著增强了hASCs的成骨作用并降低了其成脂作用。
根据化学信息学分析和研究,肉桂醛和丁香酚对hASCs具有生物相容性且低毒。这两种植物化学物质在低浓度使用时可能适用于再生医学和组织工程,但在高浓度使用时可能对肿瘤生长抑制有用。