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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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