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Viruses-Basel

Viruses-Basel

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Structure-Based Discovery of N-Sulfonylpiperidine-3-Carboxamides as Novel Capsid Assembly Modulators for Potent Inhibition of HBV Replication

Published:1 February 2022 DOI: 10.3390/v14020348
Yang Yang,?Yu Yan,?Jiaxin Yin,?Jie-Li Hu,?X. Cai,?Jie-Li Hu,?J. Xia,?Kai Wang,?N. Tang,?Lu-yi Huang

Abstract

As a key element during HBV replication, a nucleocapsid is considered a promising target for the treatment of chronic hepatitis B. The present study aimed to identify small molecules as novel capsid assembly modulators with antiviral activity. Structure-based virtual screening of an integrated compound library led to the identification of several types of HBV inhibitors. Among these inhibitors, N-sulfonylpiperidine-3-carboxamides (SPCs) potently reduced the amount of secreted HBV DNA. Through structure–activity relationship studies, we identified an SPC derivative, namely, C-39, which exhibited the highest antiviral activity without causing cytotoxicity. Mechanism studies showed that C-39 dose-dependently inhibited the formation of HBV capsid, synthesis of cccDNA, e antigen (HBeAg), viral pregenomic RNA (pgRNA), and HBV DNA levels, thereby restraining HBV replication. In summary, SPCs represent a new class of capsid assembly modulators. Further optimization of SPCs is expected to obtain new antiviral drugs against HBV infection.

Substances (8)

Materials
Procduct Name CAS Molecular Formula Supplier Price
Entecavir 142217-69-4 C12H15N5O3 554 suppliers $15.00-$4277.00
Entecavir 142217-69-4 C12H15N5O3 554 suppliers $15.00-$4277.00
Entecavir 142217-69-4 C12H15N5O3 554 suppliers $15.00-$4277.00
Entecavir 142217-69-4 C12H15N5O3 554 suppliers $15.00-$4277.00
Bay 41-4109 298708-81-3 C18H13ClF3N3O2 41 suppliers $120.00-$5040.00
Bay 41-4109 298708-81-3 C18H13ClF3N3O2 41 suppliers $120.00-$5040.00
Bay 41-4109 298708-81-3 C18H13ClF3N3O2 41 suppliers $120.00-$5040.00
Bay 41-4109 298708-81-3 C18H13ClF3N3O2 41 suppliers $120.00-$5040.00
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