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
have developed needed to face Drug Design problems with a high level of autonomy.
Ability to communicate orally concepts and ideas using an appropriate technical language
Principles of medicinal chemistry. Basic statistics. Introductory matrix algebra.
Course contents summary
The course of Drug design 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.
Lectures of Drug synthesis will deal with organic synthesis applied to the medicinal chemistry, with particular attention to innovative techniques and green chemistry. The course also provides practical exercises carried on in laboratory regarding the synthesis and purification of small bioactive compounds.
M.Mabilia. Chemoinformatica. Springer.
GH Grant, WG Richards. Computational Chemistry. Oxford Chemistry Primers.
I. VOGEL “Chimica Organica Pratica”, Casa Editrice Ambrosiana, Milano.
D. PAVIA, G. LAMPMAN, G. KRIZ “Il Laboratorio di Chimica Organica”, Ed. Italiana a cura di P. Grunanger, D. Pocar; Sorbona.
M. D’ISCHIA “La Chimica Organica in Laboratorio”, Piccin.
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.
The course of Drug synthesis is supported by laboratory exercises. These exercises will be individual and practical and will give the opportunity to each student to approach independently the solution to different syntheses and purifications of compounds of pharmaceutical interest.
Assessment methods and criteria
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).