Journal of Beijing University of Traditional Chinese Medicine 2018;41(1):71-75

doi:10.3969/j.issn.1006-2157.2018.01.012

Screening of active components from phloroglucinols in Mianma Guanzhong for anti-neuraminidase of H1N1 influenza virus

Yantao YAN 1 ; Juan WANG ; Donghao GENG ; Shenzhen FU ; Jinghong HU ; Zengping GAO

Affiliations

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Keywords

Mianma Guanzhong(Dryopteris crassirhizoma Nakai; Basket Fern Nakai); phloroglucinols; H1N1 influenza virus; molecular docking; neuraminidase

Country

China

Language

Chinese

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.