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Molecular Docking Studies and Biological Evaluation of Berberine–Benzothiazole Derivatives as an Anti-Influenza Agent via Blocking of Neuraminidase
- Source :
- International Journal of Molecular Sciences, Vol 22, Iss 2368, p 2368 (2021), International Journal of Molecular Sciences, Volume 22, Issue 5
- Publication Year :
- 2021
- Publisher :
- MDPI AG, 2021.
-
Abstract
- In this study, we have introduced newly synthesized substituted benzothiazole based berberine derivatives that have been analyzed for their in vitro and in silico biological properties. The activity towards various kinds of influenza virus strains by employing the cytopathic effect (CPE) and sulforhodamine B (SRB) assay. Several berberine–benzothiazole derivatives (BBDs), such as BBD1, BBD3, BBD4, BBD5, BBD7, and BBD11, demonstrated interesting anti-influenza virus activity on influenza A viruses (A/PR/8/34, A/Vic/3/75) and influenza B viral (B/Lee/40, and B/Maryland/1/59) strain, respectively. Furthermore, by testing neuraminidase activity (NA) with the neuraminidase assay kit, it was identified that BBD7 has potent neuraminidase activity. The molecular docking analysis further suggests that the BBD1–BBD14 compounds’ antiviral activity may be because of interaction with residues of NA, and the same as in oseltamivir.
- Subjects :
- 0301 basic medicine
Berberine
viruses
Sulforhodamine B
lcsh:Chemistry
chemistry.chemical_compound
0302 clinical medicine
Cytopathogenic Effect, Viral
Enzyme Inhibitors
lcsh:QH301-705.5
Spectroscopy
Cytopathic effect
biology
Chemistry
General Medicine
Computer Science Applications
Molecular Docking Simulation
Benzothiazole
Influenza A virus
SRB assay
030220 oncology & carcinogenesis
antiviral activity
Oseltamivir
Neuraminidase
Antiviral Agents
Catalysis
Virus
Article
Cell Line
Inorganic Chemistry
03 medical and health sciences
Viral Proteins
Dogs
Orthomyxoviridae Infections
neuraminidase assay
Animals
Benzothiazoles
Physical and Theoretical Chemistry
Molecular Biology
Organic Chemistry
molecular docking
Molecular biology
In vitro
Influenza B virus
030104 developmental biology
lcsh:Biology (General)
lcsh:QD1-999
biology.protein
Subjects
Details
- Language :
- English
- ISSN :
- 16616596 and 14220067
- Volume :
- 22
- Issue :
- 2368
- Database :
- OpenAIRE
- Journal :
- International Journal of Molecular Sciences
- Accession number :
- edsair.doi.dedup.....e27bc281b510db83eee5ec008d6ab2c6