LABORATORY OF DRUG DESIGN
Learning outcomes of the course unit
KNOWLEDGE AND UNDERSTANDING
• Understanding fundamentals of statistics useful for deriving QSAR models
• Knowledge of basics concepts of molecular modeling
APPLYING KNOWLEDGE AND UNDERSTANDING
• Ability to assess the validity and significance of a QSAR model
• Ability to build, visualize and interact with molecular models of compounds of medicinal chemistry interest
LEARNING SKILLS
• have developed needed to face Drug Design problems with a high level of autonomy.
COMMUNICATION
• Ability to communicate orally concepts and ideas using an appropriate technical language
Prerequisites
Principles of medicinal chemistry. Basic statistics. Introductory matrix algebra.
Course contents summary
The course introduces to the application of models for the analysis of structure-activity relationships, with focus on QSAR and molecular modeling. Training in the computer room is included.
Recommended readings
M.Mabilia. Chemoinformatica. Springer.
GH Grant, WG Richards. Computational Chemistry. Oxford Chemistry Primers.
Lecture notes compiled by the teacher
Teaching methods
During the lessons, basics of multivariate analysis, parametrization of physicochemical properties and molecular modeling are introduced and discussed. During training the students work in couples to the application of multivariate analysis and molecular modeling.
Assessment methods and criteria
Oral examination.
For the determination of the final mark the following descriptors are adopted:
• knowledge and understanding of the subjects (up to 12/30);
• ability to apply the knowledge (up to 10/30);
• ability to communicate the learned knowledge and skills in verbal form through the appropriate use of the techinical language (up to 8/30).
