3D-QSAR, molecular docking and molecular dynamics simulations analyses of a series of heteroaryldihydropyrimidine derivatives as hepatitis B virus capsid assembly inhibitors-Reference-Cited by-同舟云学术

3D-QSAR, molecular docking and molecular dynamics simulations analyses of a series of heteroaryldihydropyrimidine derivatives as hepatitis B virus capsid assembly inhibitors

Published:2021 Issue:47 Volume:45 Page:22062-22076
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Chen Lu¹,Liu Wen-Guang¹,Xiong Fei¹^ORCID,Ma Chao¹,Sun Chen¹,Zhu Yi-Ren¹,Zhang Xing-Guang¹^ORCID,Wang Zhong-Hua²

Affiliation:

1. Department of Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, P. R. China

2. School of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai, People's Republic of China

Abstract

In silico design of heteroaryldihydropyrimidine-based selective HBV capsid assembly inhibitors.

Funder

Shanghai Municipal Education Commission

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D1NJ02542B

Reference38 articles.

1. Discovery of RG7834: The First-in-Class Selective and Orally Available Small Molecule Hepatitis B Virus Expression Inhibitor with Novel Mechanism of Action

2. 766 HEPATOCELLULAR CARCINOMA (HCC) RISK IN HBeAg-NEGATIVE CHRONIC HEPATITIS B (CHBe−) WITH OR WITHOUT CIRRHOSIS TREATED WITH ENTECAVIR: RESULTS OF THE NATIONWIDE HepNet.Greece COHORT STUDY

3. The global burden of viral hepatitis from 1990 to 2013: findings from the Global Burden of Disease Study 2013

4. Sulfamoylbenzamide Derivatives Inhibit the Assembly of Hepatitis B Virus Nucleocapsids

5. Discovery of Small Molecule Therapeutics for Treatment of Chronic HBV Infection

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