虎杖中二氢乳清酸脱氢酶抑制剂的虚拟筛选  

Virtual Screening for Inhibitor of Dihydroorotate Dehydrogenase in Polygonum Cuspidatum Sieb. et Zucc

作　　者：张明波[1] 张蕾[1] 黄婷[1] 栾泽柱[1] 郭晏华[1] 

机构地区：[1]辽宁中医药大学药学院,辽宁大连116600

出　　处：《辽宁中医杂志》2013年第11期2326-2327,共2页Liaoning Journal of Traditional Chinese Medicine

摘　　要：目的:从中药虎杖中筛选二氢乳清酸脱氢酶的抑制剂。方法:利用Autodock Tool软件,将二氢乳清酸脱氢酶与虎杖中48个化合物进行对接。结果:虎杖中的大黄素-1-O-β-D-吡喃葡萄糖苷、槲皮素-3-O-阿拉伯糖苷、2,3,5,4'-四羟基芪-2-O-β-D-葡萄糖苷等6个成分对二氢乳清酸脱氢酶具有较强的抑制作用。结论:虎杖可能通过抑制二氢乳清酸脱氢酶发挥抗肿瘤和抗免疫作用。Objective ： To find out inhibitors of dihydroorotate dehydrogenase contained in in Polyonum Cuspidatum Sieb. et Zucc. Methods：Using Autodock Vina sofeware ,48 ingredients in Polyonum Cuspidatum Sieb. et Zucc were docked with dihydroorotare dehydrogenase. Results ：6 chemicals including Emodin-1 -O-β-D-glucopyranoside, Quercetin-3-O-arabinoside , 2,3,5,4＇-Tet- rahydroxystilbene-2-O-β-D-gucoside and others were showed to inhibit dihydroorotate dehydrogenase effectively. Conclusion：Poly- gonumcuspidatum Sieb. et Zucc may exert action in treatment for cancer and autoimmune disease by inhibiting dihydroorotate dehydrogenase.

关 键 词：虎杖 二氢乳清酸脱氢酶 虚拟筛选 抗肿瘤 

分 类 号：R965.1[医药卫生—药理学]