- Docente: Assimo Maris
- Credits: 4
- SSD: CHIM/02
- Language: Italian
- Teaching Mode: Traditional lectures
- Campus: Bologna
- Corso: Second cycle degree programme (LM) in Chemistry (cod. 8029)
Learning outcomes
After completing this course the
student:
-knowshow to represent 2D
and 3D molecular structures
- uses of screening
methods - know the concept of pharmacophore and how to use it
indrug-design
- is able apply the
QSAR and QPAR methods to simple problems, and to the design
of new molecules with desired physicochemical
properties.
Course contents
2D molecular structures: the search for structure and
substructure, and screening methods.
3D molecular structures: conformational analysis and research,
concept of pharmacophore and its usein drug design.
Molecular descriptors and methods for similarity searching.
QSAR (Quantitative Structure Activity Relationship) methods and use
the model for the drug-design.
Readings/Bibliography
A.R. Leach, V.J. Gillet, An introduction to Chemoinformatics, Springer
A.R. Leach, Molecular modelling: principles and application, Prentice Hall
Teaching methods
Lectures and laboratory
Assessment methods
Oral examination
Links to further information
Office hours
See the website of Assimo Maris