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目的:确定槲皮素抗肿瘤作用的靶标和分子机制。方法:采用Autodock Vina软件,把槲皮素与91个抗肿瘤的靶蛋白进行对接。利用Ligplot软件对槲皮素与靶蛋白的作用模式进行了分析。结果:槲皮素与多个抗肿瘤靶标具有较好的亲和性,其中与槲皮素结合能在-9.0 kcal·mol-1以下的有8个。结论:槲皮素可以通过抑制基质金属蛋白酶-8、二氢乳氢酸脱氢酶、二氢叶酸还原酶和胸苷酸合成酶以及几种蛋白激酶的活性,发挥抗肿瘤作用。
Objective: To determine the antitumor effect of quercetin target and molecular mechanisms. METHODS: Autodock Vina software was used to interface quercetin with 91 anti-tumor target proteins. The mode of action of quercetin and target protein was analyzed by Ligplot software. RESULTS: Quercetin had good affinity with multiple anti-tumor targets, of which 8 were bound to quercetin at -9.0 kcal · mol-1 or lower. Conclusion: Quercetin can exert anti-tumor effect by inhibiting the activity of matrix metalloproteinase-8, dihydro lactate dehydrogenase, dihydrofolate reductase and thymidylate synthase and several protein kinases.