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Development of novel hepatitis B virus capsid inhibitor using in silico screening
- Source :
- Biochemical and biophysical research communications. 463(4)
- Publication Year :
- 2015
-
Abstract
- Antiviral therapy for chronic hepatitis B that uses nucleos(t)ide analogue is considered effective. However, most drugs of this class frequently result in viral relapse after cessation of therapy as well as the emergence of resistance, thereby limiting their clinical use. In order to increase the therapeutic efficiency of chronic hepatitis B treatments, it is important to survey novel (chemical) reagents targeting other stages of the viral replication process. The aim of this study was to identify novel capsid inhibitor candidates using in silico screening. We discovered four such candidates that decreased the levels of HBV DNA and HBsAg in vitro. These four capsid inhibitor candidates did not induce cell toxicity even at high concentrations. Results from docking simulation showed that the candidates bounded with high affinity with the capsid protein hydrophobic binding site. Identifying direct acting HBV core protein inhibitors increases the likelihood that novel medicines can be developed that allows the combination of novel anti-viral drugs and nucleos(t)ide analogue or interferon for HBV treatment.
- Subjects :
- Male
HBsAg
Hepatitis B virus
In silico
Biophysics
Biology
medicine.disease_cause
Biochemistry
Antiviral Agents
Viral Relapse
Capsid
Interferon
medicine
Humans
Computer Simulation
Molecular Biology
Cell Biology
Middle Aged
Virology
Molecular Docking Simulation
Viral replication
Docking (molecular)
DNA, Viral
medicine.drug
Subjects
Details
- ISSN :
- 10902104
- Volume :
- 463
- Issue :
- 4
- Database :
- OpenAIRE
- Journal :
- Biochemical and biophysical research communications
- Accession number :
- edsair.doi.dedup.....cf61d8b032bfba897ab06f1883a8bc7b