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IN SILICO PREDICTION OF THE FARMACOKINETIC PROPERTIES OF DRUGS

CODE 101670
ACADEMIC YEAR 2022/2023
CREDITS
  • 5 cfu during the 4th year of 8451 CHIMICA E TECNOLOGIA FARMACEUTICHE (LM-13) - GENOVA
  • 3 cfu during the 3nd year of 8451 CHIMICA E TECNOLOGIA FARMACEUTICHE (LM-13) - GENOVA
  • SCIENTIFIC DISCIPLINARY SECTOR CHIM/08
    LANGUAGE Italian
    TEACHING LOCATION
  • GENOVA
  • SEMESTER 2° Semester
    MODULES This unit is a module of:
    TEACHING MATERIALS AULAWEB

    OVERVIEW

    The course is developed with theoretical and practical lessons. The main topics of the course are focused on in silico evaluation of pharmacokinetic and safety properties of potential drug candidates, in order to identify the most promising and drug-like compounds along the drug discovery process.

    AIMS AND CONTENT

    LEARNING OUTCOMES

    The course aims to provide a basic understanding about the medicinal chemistry strategies as well as the computational methods exploring the pharmacokinetic profile of drug candidates in terms of bioavailability, ability to pass the blood brain barriers, drug distribution and metabolism. Evaluation of potential toxicity or safety profile of drugs are considered by means of computational methods.

    AIMS AND LEARNING OUTCOMES

    The course consists of lectures and practical simulations focused on the available online resources and software to explore the main pharmacokinetic properties of drugs. The course aims to provide a basic understanding of the medicinal chemistry strategies to optimize the drug candidate bioavailability, metabolism and safety profile. In silico strategies allow to preliminary evaluate and assess the most drug-like derivatives thanks to prediction of the related pharmacokinetic parameters.

    TEACHING METHODS

    The course is developed with theoretical and practical lessons (8 hours).

    SYLLABUS/CONTENT

    Theoretical and practical topics

    Computational methods to manage in silico drugs and biological targets.

    Medicinal chemistry methods to optimize pharmacokinetic profile of drug candidates.

    Database and online resources to explore proteins and drugs, as pharmacokinetic properties

    in silico evaluation of the bioavailability and safety profile of drugs

    In silico evaluation of drug binding to plasmatic proteins and cytochrome substrate/inhibitor ability

    In silico prediction of toxicity events (hERG channel inhibition)

    RECOMMENDED READING/BIBLIOGRAPHY

    •             Introduzione alla Chimica Farmaceutica, Seconda Edizione – Graham L. Patrick, EDISES

    •             Manuale di Chimica Farmaceutica- Progettazione, meccanismo d’azione e metabolismo dei farmaci, Richard B. Silverman, Mark W. Holladay - EDRA

    •             Chimica Farmaceutica-I processi di scoperta dei farmaci, Erland Stevens-PICCIN

    TEACHERS AND EXAM BOARD

    Exam Board

    BRUNO TASSO (President)

    ELEONORA RUSSO

    LESSONS

    LESSONS START

    In the second semester

    Class schedule

    All class schedules are posted on the EasyAcademy portal.

    EXAMS

    EXAM DESCRIPTION

    Oral test

    ASSESSMENT METHODS

    The examination includes an oral test and an evaluation of the student acquired ownership of the main computational strategies applied for preliminary assess the drug-like properties of potential drug candidates.