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ADVANCED DRUG DISCOVERY

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ADVANCED DRUG DISCOVERY

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Academic year 2022/2023

Course ID
BIO0161 Pds 307-DDD
Teaching staff
Prof.ssa Giulia Caron
Prof. Giuseppe Ermondi
Prof.ssa Sonja Visentin
Degree course
[0101M21] Molecular Biotechnology
Year
2nd year
Teaching period
First semester
Type
Related or integrative
Credits/Recognition
5
Course disciplinary sector (SSD)
CHIM/08 - pharmaceutical chemistry
Delivery
Blended
Language
English
Attendance
Obligatory
Type of examination
Oral
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Sommario del corso

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Course objectives

The main goal of the course is to allow the students to face a drug discovery project with adequate tools

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Results of learning outcomes

At the end of the course students will be able to evaluate how to include basic drug discovery techniques in their research work

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Course delivery

The course will be delivered in presence. Attendance is warmly suggested. All the material will be delivered via Moodle. No synchronous/recorded lesson is available

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Learning assessment methods

Students are expected to prepare 8 reports during the teaching period. All the reports will be evaluated and their average value represents one half of the final course grade. An oral exam wil provide the second half of the final course grade.

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Support activities

The report preparation wil start during the lessons.

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Program

Getting structures

Tools to obtain a reliable and informative 3D structure

Structural databases

Main sources of experimental 3D structures (e.g. PDB, CSD)

Molecular properties in drug discovery

Most important physicochemical molecular properties (e.g. ionization, lipophilicity, polarity, flexibility, solubility, etc) and calculation and measure of related descriptors (e.g. pKa, log P/D, PSA, etc.). The druglikeness concept. Lipophilicity-based metrics. Lipinski rule (Ro5).Multi-Parameter Optimisation (MPO) process. 

ADME-Tox predictors

Barriers to drug exposure. In-vivo Pharmacokinetics. Metabolism. In-vitro ADMET. Experimental techniques used in ADMET. The case of PROTACs.

Molecular docking and ligand-based virtual screening

The main virtual screening techniques in drug discovery

QSAR/QSPR

Basic concepts and applications. 

Advanced strategies in drug synthesis

Basic concepts and applications.

Drug receptor interaction

The main techniques involved in the quantification of drug receptor interaction

Suggested readings and bibliography

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No specific reference is provided. Recent literature papers will be suggested during the lessons and listed on Moodle to familiarize with the topics. Most of the common drug discovery books can be used to contextualize the arguments.



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Last update: 02/10/2022 17:13
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