Vai al contenuto principale
Coronavirus: aggiornamenti per la comunità universitaria / Coronavirus: updates for UniTo Community
Oggetto:

COMPUTATIONAL DRUG DISCOVERY

Oggetto:

COMPUTATIONAL DRUG DISCOVERY

Oggetto:

Academic year 2021/2022

Course ID
BIO0220 Pds GEN
Teachers
Prof.ssa Giulia Caron
Prof. Giuseppe Ermondi
Degree course
[0101M21] Molecular Biotechnology
Year
2nd year
Teaching period
Second semester
Type
Elective
Credits/Recognition
4
Course disciplinary sector (SSD)
CHIM/08 - pharmaceutical chemistry
Delivery
Blended
Language
English
Attendance
Obligatory
Type of examination
Oral
Type of learning unit
corso
Prerequisites
Basic knowledge of chemistry and biochemistry. Basic knowledge of computer sciences.
Oggetto:

Sommario del corso

Oggetto:

Course objectives

Providing students with the basic concepts and tools to manage the 3D structure of proteins in the perspective of drug design using Web-based and stand-alone tools 

Oggetto:

Results of learning outcomes

Students will be able to analyse the 3D structure of proteins paying particular attention to the interaction between drugs and their targets. They will handle experimental and predicted protein structures. Finally, the will learn how applying some web-based and stand-alone tools to resolve simple drug design problems, e.g. the docking of a drug, the definition of a pharmacophore, etc.

Oggetto:

Program

  • Visualization of drug and protein 3D structures and of their interaction
  • Machine learning and Artificial Intelligence applied to Drug Design
    • AlphaFold: limits and potentiality of this new resource
  • The dynamics of the proteins
    • Molecular dynamics strategies
  • Structure-based virtual screening
    • Molecular docking
  • Ligand-based virtual screening
    • Pharmacophore definition and application to drug design
    • ADME predictors
Oggetto:

Course delivery

The lessons will be given in form of frontal and practical lessons

Oggetto:

Learning assessment methods

Students are encouraged to participate, ask questions and maintain a direct relationship with the professor during the lesson.

In each lesson, they are involved in practical exercitation based on online or free tools that they can perform on their notebooks.

Finally, for each topic, students must submit a report that will be evaluated.

The final examination is oral and includes a discussion of the reports.

Exams will be conducted 'face-to-face' or online according to university guidelines

Oggetto:

Support activities

Classroom practice

Suggested readings and bibliography

Oggetto:

-



Oggetto:

Notes

Readings and bibliography will be suggested during the lessons

Oggetto:
Last update: 31/08/2021 12:34
Location: https://www.molecularbiotechnology.unito.it/robots.html
Non cliccare qui!