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.
• 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