OVERVIEW

The course will introduce the students to the main computational drug design approaches  and synthetic techniques used in the drug discovery process.

AIMS AND CONTENT

LEARNING OUTCOMES

The course aims to provide key concepts of drug design and synthesis, with particular reference to innovative methodologies.

AIMS AND LEARNING OUTCOMES

The student will learn and be able to discuss the different computational strategies and synthetic methodologies in an autonomous way. The acquired information will provide the students the basis for further in-depth analysis on the several approaches used in drug design and synthesis.

PREREQUISITES

A good knowledge of medicinal chemistry, organic chemistry, biochemistry and pharmacology is suggested.

TEACHING METHODS

Lessons in presence, 5CFU.

SYLLABUS/CONTENT

Ligand, protein, conformational analysis, conformations ranking, energy minimisation, relative minimum, global minimum, pharmacophoric map, ligand-based drug design, structure-based drug design, docking, molecular dynamics, scoring functions.

Drug discovery process, combinatorial synthesis, compound libraries, solid-phase synthesis, DEL and ESAC libraries, parallel synthesis, polymer-assisted solution phase synthesis, flow chemistry

RECOMMENDED READING/BIBLIOGRAPHY

The teacher will propose several papers from literature to integrate the topics discussed during the lessons.

TEACHERS AND EXAM BOARD

Exam Board

PAOLA FOSSA (President)

ANDREA SPALLAROSSA (President)

LESSONS

LESSONS START

According to the academic calendar, in the second semester

Class schedule

COMPUTATIONAL TECHNIQUES OF DRUG DEVELOPMENT AND DRUG SYNTHESIS

EXAMS

EXAM DESCRIPTION

The exam will consist of an oral discussion with the student regarding the topics covered in classroom. One or two questions concerning computational aspects and 1-2 questions concerning drug synthesis. 

ASSESSMENT METHODS

The students should demonstrate mastery of the topics discussed during the lessons, being also able to integrate information derived by related disciplines, such as biochemistry or organic chemistry.

FURTHER INFORMATION

Please contact the teacher for further information not included in the teaching sheet