Detecting antiviral drugs

    The expert system combines different strategies and methods of drug research, so that structural patterns of virus-specific inhibitors but also structural patterns of target specific inhibitors are recognised.


MolScore-
Antivirals

 selects compounds for focussed
antiviral
screening
campaigns.
 


Up to
77% of
screening
costs

can be saved.
 


Secure the
same number
 of hits
 while testing
far fewer compounds.
 


MolScore-results can easily be integrated
via SDF-files.
 

•  Inhibitors of viral genome replication (integration, transcription)

•  Entry-, Uncoating- and Assembly-Inhibitors

•  Inhibitors of viral protein synthesis and protein modification

•  Virus specific protease inhibitors (HIV, HCV, SARS-CoV...)

•  Neuraminidase inhibitors (influenza viruses)

•  Reverse transcriptase inhibitors (retro-viruses)

•  Inhibitors with unknown mechanism of action

    The unification of different models in MolScore-Antivirals resulted in an excellent detection of all types of antiviral substance classes, independent of molecular weight or mechanism of action.


    Since compound databases from external suppliers contain only a small amount of substances with antiviral activity, MolScore-Antivirals is the ideal tool to select compounds for focussed antiviral screening campaigns, see increasing the hit-rate.

    Different classes of antiviral inhibitors are detected, some examples:

3D-model of HIV-protease

3D-model of neuraminidase

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