期刊
JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY
卷 -, 期 -, 页码 -出版社
WILEY
DOI: 10.1002/jbt.23573
关键词
antibacterial; anticancer effects; antioxidant; enzymes; in silico study; natural compounds
This study investigated the effects of natural compounds on cancer cells and enzymes, and evaluated their interactions with receptor proteins through molecular docking calculations. The results showed that these compounds have potential anticancer and antidiabetic properties.
Natural compounds, such as carotenoids, flavonoids, anthocyanins, or terpenoids, are physiologically active components found in plants (pigments), often known as phytochemicals or phytonutrients. The in vitro cytotoxic and anticolon cancer effects of biologically bavachin, bavachinin, artepillin C, and aromadendrin compounds against SW48, SNU-C1, COLO 205, RKO, LS411N, and SW1417 cancer cell lines were assessed. Results of enzymes and antibacterial, antifungal were in level of micromolar that is good impacts. These natural compounds may be antidiabetic, anticancer, and antibacterial candidates for drug design. IC50 results were obtained between 14-19 and 5-119 mu M for alpha-amylase and alpha-glucosidase, respectively. Good inhibitor Bavachinin was detected for both enzymes (IC50 for alpha-amylase: 14.37 mu M and IC50 for alpha-glucosidase: 5.27 mu M). The chemical activities of aromadendrin, artepillin C, bavachin, and bavachinin against pancreatic alpha-amylase and alpha-glucosidase were assessed by conducting the molecular docking study. The chemical activities of aromadendrin, artepillin C, bavachin, and bavachinin against some of the expressed surface receptor proteins (CD44, CD47, CXCR4, EGFR, folate receptor, HER2, and endothelin receptor) in the mentioned cell lines were investigated using the molecular docking calculations. The results illustrated the atomic-level properties and potential interactions. These chemicals have high binding affinities to the enzymes and proteins, according to the docking scores. In addition, the compounds formed strong contacts with the enzymes and receptors. Thus, these compounds could be potential inhibitors for enzymes and cancer cells.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据