Discovery of Multi-Targets Neuraminidase Inhibitor Lead Compound Against Influenza H1N1 Virus A/WSN/33 Based on QSAR, Docking, Dynamics Simulation and Network Pharmacology

被引：1

作者：

Sun, Jiaying ^{[1
]}

Liu, Yaru ^{[1
]}

Yi, Bingxiang ^{[1
]}

Shu, Mao ^{[1
]}

Zhang, Zhiping ^{[2
]}

Lin, Zhihua ^{[1
]}

机构：

[1] Chongqing Univ Technol, Sch Pharm & Bioengn, Chongqing 400054, Peoples R China

[2] Chongqing Ruepeak Pharmaceut Co Ltd, Chongqing 400054, Peoples R China

来源：

CHEMISTRYSELECT | 2022年 / 7卷 / 14期

基金：

中国国家自然科学基金;

关键词：

A; WSN; 33; multi-target; neuraminidase inhibitors; network pharmacology; QSAR; PARADIGM; ANALOGS; 3D-QSAR;

D O I：

10.1002/slct.202103962

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In this paper, three compounds are discovered as lead compounds of multi-targets neuraminidase inhibitor drugs against influenza H1N1 virus A/WSN/33 using QSAR, molecular docking, dynamics simulation and network pharmacology. Moreover, NEU1, PLA2G1B and STAT1 are especially related to therapeutic targets of influenza virus. Therefore, the present study can be helpful in the process of the rational drug design of anti-influenza virus drugs and improve reliability of findings novel multi-target drugs which may avoid drug-resistance.

引用

页数：15

共 24 条

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