MMV Antimalarial Scoring Profile
The property criteria below and in the accompanying MMV Antimalarial Scoring Profiles were developed in collaboration with Medicines for Malaria Ventures (MMV) and represent their criteria for prioritisation of compounds. The MMV Library Design Profile allows for prioritization of unsynthesised (virtual) compounds. It uses six properties including alerts for undesirable substructures and common ‘drug-like’ properties. The MMV Screening Active Profile includes the properties of the MMV Library Design Profile but also uses experimental data. It allows for prioritization of compounds which have activity data for the asexual blood stage of the plasmodium life cycle and cytotoxicity data.
The scoring profile uses structural alerts published in Brenk et al. ChemMedChem (2008) 3(3), pp 435-444, commonly known as the “Dundee Alerts”. You can download a model for StarDrop that calculates these alerts and instructions on how to use this are included in the notes mentioned above.