In silico identification of vaccine candidate from various screening methods against hepatitis C virus

2017 ◽  
Vol 13 (3) ◽  
pp. 301
Author(s):  
Nidhi Sharma ◽  
Joginder Singh ◽  
Vikas Kaushik
Keyword(s):  
Hepatitis C Virus ◽  
Hepatitis C ◽  
In Silico ◽  
Vaccine Candidate ◽  
Screening Methods ◽  
In Silico Identification

scholarly journals In silico identification, design and synthesis of novel piperazine-based antiviral agents targeting the hepatitis C virus helicase

2017 ◽  
Vol 125 ◽  
pp. 1115-1131 ◽  
Author(s):  
Marcella Bassetto ◽  
Pieter Leyssen ◽  
Johan Neyts ◽  
Mark M. Yerukhimovich ◽  
David N. Frick ◽  
...  
Keyword(s):  
Hepatitis C Virus ◽  
Hepatitis C ◽  
In Silico ◽  
Antiviral Agents ◽  
Design And Synthesis ◽  
In Silico Identification

scholarly journals Identification of Potential HCV Inhibitors Based on the Interaction of Epigallocatechin-3-Gallate with Viral Envelope Proteins

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1257
Author(s):  
Fareena Shahid ◽  
Noreen ◽  
Roshan Ali ◽  
Syed Lal Badshah ◽  
Syed Babar Jamal ◽  
...  
Keyword(s):  
Hepatitis C ◽  
In Silico ◽  
Experimental Validation ◽  
Homology Modelling ◽  
Viral Envelope ◽  
Screening Methods ◽  
Binding Affinities ◽  
Autodock Vina ◽  
Potential Inhibitors ◽  
Very High

Hepatitis C is affecting millions of people around the globe annually, which leads to death in very high numbers. After many years of research, hepatitis C virus (HCV) remains a serious threat to the human population and needs proper management. The in silico approach in the drug discovery process is an efficient method in identifying inhibitors for various diseases. In our study, the interaction between Epigallocatechin-3-gallate, a component of green tea, and envelope glycoprotein E2 of HCV is evaluated. Epigallocatechin-3-gallate is the most promising polyphenol approved through cell culture analysis that can inhibit the entry of HCV. Therefore, various in silico techniques have been employed to find out other potential inhibitors that can behave as EGCG. Thus, the homology modelling of E2 protein was performed. The potential lead molecules were predicted using ligand-based as well as structure-based virtual screening methods. The compounds obtained were then screened through PyRx. The drugs obtained were ranked based on their binding affinities. Furthermore, the docking of the topmost drugs was performed by AutoDock Vina, while its 2D interactions were plotted in LigPlot+. The lead compound mms02387687 (2-[[5-[(4-ethylphenoxy) methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl] sulfanyl]-N-[3(trifluoromethyl) phenyl] acetamide) was ranked on top, and we believe it can serve as a drug against HCV in the future, owing to experimental validation.

Toxicology and biodistribution study of CIGB-230, a DNA vaccine against hepatitis C virus

2009 ◽  
Vol 28 (8) ◽  
pp. 479-491 ◽  
Author(s):  
Dania Bacardí ◽  
Yalena Amador-Cañizares ◽  
Karelia Cosme ◽  
Dioslaida Urquiza ◽  
José Suárez ◽  
...  
Keyword(s):  
Hepatitis C Virus ◽  
Hepatitis C ◽  
Vaccine Candidate ◽  
The Body ◽  
Biodistribution Study ◽  
Treatment Groups ◽  
Clinical Dose ◽  
Qualitative Polymerase Chain Reaction ◽  
Mesenteric Ganglion ◽  
Kidney Liver

CIGB-230, a mixture of a DNA plasmid expressing hepatitis C virus (HCV) structural antigens and a HCV recombinant capsid protein, has demonstrated to elicit strong immune responses in animals. The present study evaluated the plasmid biodistribution after the administration of CIGB-230 in mice, as well as toxicity of this vaccine candidate in rats. In the biodistribution study, mice received single or repeated intramuscular injections of CIGB-230, 50 μg of plasmid DNA mixed with 5 μg of Co.120 protein. Plasmid presence was assessed in ovaries, kidney, liver, pancreas, mesenteric ganglion, blood, and muscle of the injection site by a qualitative polymerase chain reaction. The toxicology evaluation included treatment groups receiving doses 5, 15, or 50 times higher, according to the body weight, than the expected therapeutic clinical dose. During the first hour after repeated inoculation, a promiscuous distribution was observed. However, 3 months later, plasmid could not be detected in any tissue. There was an absence of detectable adverse effects on key toxicology parameters and no damage evidenced in inspected organs and tissues. These results indicate that CIGB-230 is nontoxic at local and systemic levels and no concerns about persistence are observed, which support clinical testing of this vaccine candidate against HCV.

scholarly journals Molecular Characterization of Hepatitis C Virus for Developed Antiviral Agents Resistance Mutations and New Insights into in-silico Prediction Studies

2020 ◽  
Vol Volume 13 ◽  
pp. 4235-4248
Author(s):  
Mohamed M Adel El-Sokkary ◽  
Lizaveta Gotina ◽  
Mohammad M. Al-Sanea ◽  
Ae Nim Pae ◽  
Rehab Mohammed Elbargisy
Keyword(s):  
Hepatitis C Virus ◽  
Hepatitis C ◽  
Molecular Characterization ◽  
In Silico ◽  
Antiviral Agents ◽  
In Silico Prediction ◽  
Resistance Mutations

scholarly journals Novel Cell-Based Hepatitis C Virus Infection Assay for Quantitative High-Throughput Screening of Anti-Hepatitis C Virus Compounds

2013 ◽  
Vol 58 (2) ◽  
pp. 995-1004 ◽  
Author(s):  
Zongyi Hu ◽  
Keng-Hsin Lan ◽  
Shanshan He ◽  
Manju Swaroop ◽  
Xin Hu ◽  
...  
Keyword(s):  
Hepatitis C Virus ◽  
Hepatitis C ◽  
High Throughput ◽  
High Throughput Screening ◽  
Dose Range ◽  
Hcv Infection ◽  
Replication Cycle ◽  
Screening Methods ◽  
Functional Features ◽  
Pharmacologically Active

ABSTRACTTherapy for hepatitis C virus (HCV) infection has advanced with the recent approval of direct-acting antivirals in combination with peginterferon and ribavirin. New antivirals with novel targets are still needed to further improve the treatment of hepatitis C. Previously reported screening methods for HCV inhibitors either are limited to a virus-specific function or apply a screening method at a single dose, which usually leads to high false-positive or -negative rates. We developed a quantitative high-throughput screening (qHTS) assay platform with a cell-based HCV infection system. This highly sensitive assay can be miniaturized to a 1,536-well format for screening of large chemical libraries. All candidates are screened over a 7-concentration dose range to give EC50s (compound concentrations at 50% efficacy) and dose-response curves. Using this assay format, we screened a library of pharmacologically active compounds (LOPAC). Based on the profile of dose-dependent curves of HCV inhibition and cytotoxicity, 22 compounds with adequate curves and EC50s of <10 μM were selected for validation. In two additional independent assays, 17 of them demonstrated specific inhibition of HCV infection. Ten potential candidates with efficacies of >70% and CC50s (compound concentrations at 50% cytotoxicity) of <30 μM from these validated hits were characterized for their target stages in the HCV replication cycle. In this screen, we identified both known and novel hits with diverse structural and functional features targeting various stages of the HCV replication cycle. The pilot screen demonstrates that this assay system is highly robust and effective in identifying novel HCV inhibitors and that it can be readily applied to large-scale screening of small-molecule libraries.

Sign in / Sign up

Export Citation Format

Share Document