北京中医药大学学报2018，Vol.41Issue(1)：71-75,5.DOI:10.3969/j.issn.1006-2157.2018.01.012
绵马贯众中间苯三酚类化合物抗H1N1流感病毒神经氨酸酶的活性成分筛选
Screening of active components from phloroglucinols in Mianma Guanzhong for anti-neuraminidase of H1N1 influenza virus
摘要
Abstract
Objective To study the inhibitory effect of phloroglucinols in Mianma Guanzhong(Dryopteris crassirhizoma Nakai,Basket Fern Nakai)on neuraminidase(NA)of H1N1 influenza virus.Methods A library of 34 phloroglucinols ligands was established through retrieving, and X-ray three-dimensional crystal structure file of NA(H1N1)was downloaded from Protein Data Bank.The phloroglucinols possessing lower binding energy and stronger hydrogen bond interaction with NA were screened by using AutoDock Vina software and LigPlot +software, and the inhibitory effect of candidate phloroglucinols on NA was verified by using fluorometric assay.Results There were 4 phloroglucinols(filixic acids ABA, ABB, ABP and ABBA)with better combination with NA screened through molecular docking.The results of fluorometric assay showed that dryocrassin ABBA had the strongest inhibitory effect on NA [(IC50)=(26.73 ±0.57)μmol/L].Conclusion Dryocrassin ABBA in Mianma Guanzhong has higher effect of anti-NA of H1N1 influenza virus, which lays a foundation for further study on new anti-influenza drugs.关键词
绵马贯众/间苯三酚/H1N1流感病毒/分子对接/神经氨酸酶Key words
Mianma Guanzhong(Dryopteris crassirhizoma Nakai/Basket Fern Nakai)/phloroglucinols/H1N1 influenza virus/molecular docking/neuraminidase分类
医药卫生引用本文复制引用
闫艳韬,王娟,耿东浩,付深振,胡京红,高增平..绵马贯众中间苯三酚类化合物抗H1N1流感病毒神经氨酸酶的活性成分筛选[J].北京中医药大学学报,2018,41(1):71-75,5.基金项目
国家自然科学基金项目(No.31270400)National Natural Science Foundation of China(No.31270400) （No.31270400）
