During the course the student will learn the basics to design a drug through computational methods.
The aim of the course is to impart an understanding of what medicinal chemists consider when attempting to design new pharmaceuticals. The course is twofold: a theoretical part and practical section. In the first part the course will describe the principles involved in modern drug design and drug discovery, usually with reference to compounds in current clinical usage. In the second part practical sections will be set up to teach the student some computational methods to apply in the drug design process.



RINO RAGNO RINO RAGNO   Teacher profile


1. Introduction to Medicinal Chemistry
1A. History
1B. Drugs and Drug Targets
1C. Drug Discovery Screening Techniques

2. Drug Targets
2A. Proteins
2B. Lipids
2C. Sugars

3. Farmacodinamics
3A. Drug-Target interactions
3B. Drug Mechanisms of Action with Receptors and Enzymes
4. Farmacokinetics
4A. ADME Properties
4B. Metabolism

5. Drug Discovery
5A. Hit and Lead
5B. Structure Activity Relationships

6. Drug Design
6A. The computer in Drug Design
6B. Introduction toLigand-Based Drug Design
6D. Introduction to 3-D QSAR
6E. Introduction to Structure-Based Drug Design

7. Practical Exercizes on General Med Chem
7A. How to draw molecules in 2-D and 3-D
7B. Analysis of three-dimensional Drug/Target interactions
7C. Ligand-Based Methods: basics approaches on how to build a QSAR model
7D. Ligand-Based Methods: basics approaches on how to build a 3-D QSAR model
7E. Ligand-Based Methods: basics approaches on how to build a pharmacophoric model
7F. Structure-Based Methods: basics approaches on how to perform molecular docking of a small molecule in a macromolecule

Adopted texts

- Foye. Principles of medicinal chemistry.
- Patrick. An Introduction to Medicinal Chemistry.
- Burger. Drug Discovery.
- Wermuth. The Practice of Medicinal Chemistry.
- Comprehensive Medicinal Chemistry II.
- Lectures available from e-learning web platform. (https://elearning.uniroma1.it/course/view.php?id=4523)


The students should have acquired the fundamentals of Organic Chemistry and Biochemistry. Of particular importance the ability to recognize the main functional groups and all biological molecules (aminoacids, nucelic acids and sugars)

Study modes

The course is either in presence or online. The recorded lecture are available online.

Exam modes

The final test will be written and oral. During the oral part the sudent will be asked to show its ability to make some practical on the exercitations made during the lessons.
During the course will be given assignements to evaluate the student active participation, this will be taken into account for the final mark

Exam reservation date start Exam reservation date end Exam date
16/12/2020 08/01/2021 12/01/2021
13/01/2020 11/02/2021 16/02/2021
05/02/2020 01/03/2021 05/03/2021
01/03/2020 10/04/2021 13/04/2021
14/04/2020 20/05/2021 25/05/2021
26/05/2020 10/06/2021 15/06/2021
16/06/2020 01/07/2021 06/07/2021
07/07/2021 02/09/2021 07/09/2021
08/07/2021 30/09/2021 05/10/2021
08/10/2021 04/11/2021 09/11/2021
15/11/2021 05/12/2021 14/12/2021
16/12/2021 05/01/2022 11/01/2022
Course sheet
  • Academic year: 2020/2021
  • Curriculum: Curriculum unico
  • Year: Second year
  • Semester: Second semester
  • SSD: CHIM/08
  • CFU: 6
  • Attività formative caratterizzanti
  • Ambito disciplinare: Discipline biotecnologiche con finalità specifiche:chimiche e farmaceutiche
  • Exercise (Hours): 40
  • Lecture (Hours): 32
  • CFU: 6.00
  • SSD: CHIM/08