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Rational drug design and PKPD modeling
Titulaire(s) du cours
Jean-Christophe LELOUP (Coordonnateur) et Martine PREVOSTCrédits ECTS
5
Langue(s) d'enseignement
anglais
Contenu du cours
Part I: Rational Drug Design
Content:
I Introduction
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History in the art of healing and drug discovery
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Main contributing sources to drugs
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Lead discovery and optimization
II Experimental approaches
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High throughput screening
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Combinatorial chemistry
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High throughput Xray cristallography and NMR
III Computer-assisted methods
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Ligand-based rational design: QSAR and pharmacophore and similarity-based virtual screening
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Structure (or receptor)-based rational design: Virtual screening of 3D structure of ligand in the 3D structures of receptors, fragment-based (or de novo) design
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Scoring functions to estimate the free energy of binding receptor-ligand
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Applications
Part II: PK/PD modelling
Content:
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ADME properties:
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Absorption
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Distribution
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Metabolism and Excretion
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Non-linear Pharmacokinetics
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Designing Dose Regimens
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PK/PD Modelling
Objectifs (et/ou acquis d'apprentissages spécifiques)
Part I: Rational Drug Design
Introducing the computer-assisted and experimental methods used in rational drug designand detailing both the ligand-based and structure-based approaches. Part II: PK/PD modelling
Part II: PK/PD modelling
Introducing the students to the concept of mathematical modelling in pharmacokinetics and pharmacodynamics to describe and predict the time course of drug effects under various conditions.
Méthodes d'enseignement et activités d'apprentissages
Courses and practical exercices illustrated by applications from the literature.
Contribution au profil d'enseignement
Introducing different aspects of rational drug design and of the pharmacodynamic and pharmacokinetic properties of drugs
Autres renseignements
Contacts
Campus Plaine bâtiment BC niveau 4 1C4.104 mprevost@ulb.ac.be
Campus
Plaine
Evaluation
Méthode(s) d'évaluation
- Autre
Autre
Mark based on:
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Oral exam in two parts: on the RDD and on the PK/PD modelling
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Written report on the practical exercices
Construction de la note (en ce compris, la pondération des notes partielles)
oral exam: 80%
written report: 20%
Langue(s) d'évaluation
- français
- anglais