Molecular Docking Studies and Biological Evaluation of Berberine-Benzothiazole Derivatives as an Anti-Influenza Agent via Blocking of Neuraminidase.
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.
['Kumar|Manu|M|0000-0003-3490-5062', 'Chung|Sang-Min|SM|', 'Enkhtaivan|Ganuskh|G|', 'Patel|Rahul V|RV|', 'Shin|Han-Seung|HS|', 'Mistry|Bhupendra M|BM|']
D000818:Animals D000998:Antiviral Agents D052160:Benzothiazoles D001599:Berberine D002460:Cell Line D003588:Cytopathogenic Effect, Viral D004285:Dogs D004791:Enzyme Inhibitors D009980:Influenza A virus D009981:Influenza B virus D062105:Molecular Docking Simulation D009439:Neuraminidase D009976:Orthomyxoviridae Infections D014764:Viral Proteins
molecular docking neuraminidase assay antiviral activity SRB assay