% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Eberle:892431,
      author       = {Eberle, Raphael and Olivier, Danilo S. and Amaral, Marcos
                      S. and Gering, Ian and Willbold, Dieter and Arni, Raghuvir
                      K. and Coronado, Monika A.},
      title        = {{T}he {R}epurposed {D}rugs {S}uramin and {Q}uinacrine
                      {C}ooperatively {I}nhibit {SARS}-{C}o{V}-2 3{CL}pro {I}n
                      {V}itro},
      journal      = {Viruses},
      volume       = {13},
      number       = {5},
      issn         = {1999-4915},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {FZJ-2021-02077},
      pages        = {873 -},
      year         = {2021},
      abstract     = {Since the first report of a new pneumonia disease in
                      December 2019 (Wuhan, China) the WHO reported more than 148
                      million confirmed cases and 3.1 million losses globally up
                      to now. The causative agent of COVID-19 (SARS-CoV-2) has
                      spread worldwide, resulting in a pandemic of unprecedented
                      magnitude. To date, several clinically safe and efficient
                      vaccines (e.g., Pfizer-BioNTech, Moderna, Johnson $\&$
                      Johnson, and AstraZeneca COVID-19 vaccines) as well as drugs
                      for emergency use have been approved. However, increasing
                      numbers of SARS-Cov-2 variants make it imminent to identify
                      an alternative way to treat SARS-CoV-2 infections. A
                      well-known strategy to identify molecules with inhibitory
                      potential against SARS-CoV-2 proteins is repurposing
                      clinically developed drugs, e.g., antiparasitic drugs. The
                      results described in this study demonstrated the inhibitory
                      potential of quinacrine and suramin against SARS-CoV-2 main
                      protease (3CLpro). Quinacrine and suramin molecules
                      presented a competitive and noncompetitive inhibition mode,
                      respectively, with IC50 values in the low micromolar range.
                      Surface plasmon resonance (SPR) experiments demonstrated
                      that quinacrine and suramin alone possessed a moderate or
                      weak affinity with SARS-CoV-2 3CLpro but suramin binding
                      increased quinacrine interaction by around a factor of
                      eight. Using docking and molecular dynamics simulations, we
                      identified a possible binding mode and the amino acids
                      involved in these interactions. Our results suggested that
                      suramin, in combination with quinacrine, showed promising
                      synergistic efficacy to inhibit SARS-CoV-2 3CLpro. We
                      suppose that the identification of effective, synergistic
                      drug combinations could lead to the design of better
                      treatments for the COVID-19 disease and repurposable drug
                      candidates offer fast therapeutic breakthroughs, mainly in a
                      pandemic moment.},
      cin          = {IBI-7},
      ddc          = {050},
      cid          = {I:(DE-Juel1)IBI-7-20200312},
      pnm          = {5244 - Information Processing in Neuronal Networks
                      (POF4-524)},
      pid          = {G:(DE-HGF)POF4-5244},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:34068686},
      UT           = {WOS:000654617600001},
      doi          = {10.3390/v13050873},
      url          = {https://juser.fz-juelich.de/record/892431},
}