Design drugs with a computer

08.10.2019 and 09.10.2019, from 09:15 to 17:00

Dr Antoine Daina, Institut suisse de bioinformatique

Dr Antoine Daina, Institut suisse de bioinformatique Dr Vincent Zoete, Institut suisse de bioinformatique Remarque complémentaire: Vincent Zoete et Antoine Daina sont employés SIB (Swiss Institute of Bioinformatics) à 100%. Ils n'ont pas de taux d'activité à l'Université de Lausanne. Leur affiliation à l'UNIL est uniquement administrative, car leurs locaux se trouvent sur leur campus

Employing computing resources algorithms and 3D visualization to rationally design novel molecules that activate or inhibit the function of a therapeutically relevant protein became a key element of any industrial or academic drug discovery projects. Computer-assisted drug design (CADD) aims at generating rational ideas about how to create or modify the molecules and at helping to promote the most promising drug candidates at each stage of the process, from early hit finding to late preclinical development. The objective of this two-days workshop is two-fold: i) Providing the necessary theoretical background and an overview of existing software and databases in order. ii) let the participant himself discover, design, optimize and evaluate novel active virtual molecules by two different approaches (based on freely available web-based tools developed by the Molecular Modeling Group at the Swiss Institute of Bioinformatics). The final goal is for non-expert participants (being pharmacist, biologist, chemists, physicist or MD) to acquire the right technical skills to achieve basic drug design tasks on whatever computer connected to the Internet with enough theoretical background to interpret the outputs and make them relevant outcomes in any project involving biological activity of small molecules

A04.2608, CMU, Genève

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