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@ARTICLE{Eberle:908879,
      author       = {Eberle, Raphael J. and Olivier, Danilo S. and Amaral,
                      Marcos S. and Pacca, Carolina C. and Nogueira, Mauricio L.
                      and Arni, Raghuvir K. and Willbold, Dieter and Coronado,
                      Monika A.},
      title        = {{R}iboflavin, a {P}otent {N}europrotective {V}itamin:
                      {F}ocus on {F}lavivirus and {A}lphavirus {P}roteases},
      journal      = {Microorganisms},
      volume       = {10},
      number       = {7},
      issn         = {2076-2607},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {FZJ-2022-02893},
      pages        = {1331 -},
      year         = {2022},
      abstract     = {Several neurotropic viruses are members of the flavivirus
                      and alphavirus families. Infections caused by these viruses
                      may cause long-term neurological sequelae in humans. The
                      continuous emergence of infections caused by viruses around
                      the world, such as the chikungunya virus (CHIKV) (Alphavirus
                      genus), the zika virus (ZIKV) and the yellow fever virus
                      (YFV) (both of the Flavivirus genus), warrants the
                      development of new strategies to combat them. Our study
                      demonstrates the inhibitory potential of the water-soluble
                      vitamin riboflavin against NS2B/NS3pro of ZIKV and YFV and
                      nsP2pro of CHIKV. Riboflavin presents a competitive
                      inhibition mode with IC50 values in the medium µM range of
                      79.4 ± 5.0 µM for ZIKV NS2B/NS3pro and 45.7 ± 2.9 μM for
                      YFV NS2B/NS3pro. Against CHIKV nsP2pro, the vitamin showed a
                      very strong effect (93 ± 5.7 nM). The determined
                      dissociation constants (KD) are significantly below the
                      threshold value of 30 µM. The ligand binding increases the
                      thermal stability between 4 °C and 8 °C. Unexpectedly,
                      riboflavin showed inhibiting activity against another viral
                      protein; the molecule was also able to inhibit the viral
                      entry of CHIKV. Molecular dynamics simulations indicated
                      great stability of riboflavin in the protease active site,
                      which validates the repurposing of riboflavin as a promising
                      molecule in drug development against the viruses presented
                      h},
      cin          = {IBI-7},
      ddc          = {570},
      cid          = {I:(DE-Juel1)IBI-7-20200312},
      pnm          = {5244 - Information Processing in Neuronal Networks
                      (POF4-524) / DFG project 267205415 - SFB 1208: Identität
                      und Dynamik von Membransystemen - von Molekülen bis zu
                      zellulären Funktionen (267205415)},
      pid          = {G:(DE-HGF)POF4-5244 / G:(GEPRIS)267205415},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {35889050},
      UT           = {WOS:000832457100001},
      doi          = {10.3390/microorganisms10071331},
      url          = {https://juser.fz-juelich.de/record/908879},
}