– Alastair Parkes, Vice-President, Medicinal Chemistry, Evotec, UK
– James Duffy, Senior Director, Drug Discovery, Medicines for Malaria Venture (MMV), UK
– Charles Mowbray, Discovery Director, Drugs for Neglected Diseases initiative (DNDi), Switzerland
Presentation 1: Structure activity relationship optimisation – case studies (Alastair Parkes)
– The presentation will consider common challenges in antibacterial drug discovery and use case studies to illustrate how these can be addressed.
Presentation 2: The experimental validation of MAIP: an open-source tool that can enrich the output from HTS and identify novel, druglike molecules with antimalarial activity (James Duffy)
– A collaboration between pharma companies and not-for-profit organisations resulted in development of the MAlaria Inhibitor Prediction (MAIP) web platform. The open access tool is hosted by the European Bioinformatics Institute (EMBL-EBI) and freely available for researchers.
– To experimentally validate the tool, MAIP was used to select a set of approximately 6,000 compounds predicted to have antimalarial activity.
– The set of compounds was purchased and tested in a Plasmodium falciparum (P. falciparum) asexual blood stage phenotypic assay. The set of compounds selected using MAIP had a 9-fold improvement in hit rate when compared to a ‘random’ set that was tested in parallel and enabled the identification of novel, druglike compounds with antimalarial activity and potential for further development.
Audience questions will be answered at the end of the webinar.
Date and time:
Thu, Aug 24, 2023 4:00 PM – 5:30 PM CEST
Dedicated registration link here