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