LABORATORY OF DRUG DESIGN
cod. 1004497

Academic year 2022/23
5° year of course - First semester
Professor
LODOLA Alessio
Academic discipline
Chimica farmaceutica (CHIM/08)
Field
Discipline chimiche, farmaceutiche e tecnologiche
Type of training activity
Characterising
54 hours
of face-to-face activities
5 credits
hub: PARMA
course unit
in ITALIAN

Learning objectives

The course brings the student to knowledge and comprehension of main, simple techniques of QSAR and molecular modeling. Training in computer room is based on the application of statistical data analysis to QSAR data and of molecular modeling to drug design.

Prerequisites

Principles of medicinal chemistry. Basic statistics. Introductory matrix algebra.

Course unit content

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.

Full programme

Bibliography

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. Questions will be on both theory, as discussed during lessons, and training in computer room. Exercises performed during the course will be considered for final evaluation.

Other information