FAZV1_15 Molecular Principles of Drug Design

Faculty of Pharmacy
Spring 2021
Extent and Intensity
2/1/0. 4 credit(s). Type of Completion: zk (examination).
Teacher(s)
doc. PharmDr. Oldřich Farsa, Ph.D. (lecturer)
PharmDr. Tomáš Goněc, Ph.D. (lecturer)
doc. PharmDr. Oldřich Farsa, Ph.D. (seminar tutor)
PharmDr. Tomáš Goněc, Ph.D. (seminar tutor)
Mgr. Anna Ruprechtová (lecturer)
Mgr. Ing. Jiří Václavík, Ph.D. (lecturer)
Mgr. Peter Zubáč (lecturer)
Guaranteed by
doc. PharmDr. Oldřich Farsa, Ph.D.
Department of Chemical Drugs – Departments – Faculty of Pharmacy
Timetable
Thu 9:00–10:40 44-247
  • Timetable of Seminar Groups:
FAZV1_15/01: Thu 10:40–11:30 44-247
Course Enrolment Limitations
The course is only offered to the students of the study fields the course is directly associated with.

The capacity limit for the course is 24 student(s).
Current registration and enrolment status: enrolled: 0/24, only registered: 0/24
fields of study / plans the course is directly associated with
Course objectives
Objectives of the course:
The course develops and deepens knowledge of pharmaceutical chemistry in combination with other pharmaceutical and biological branches of knowledge in terms of drug research and development strategy. The key objective is structure proposal and further optimisations so that a new potential drug met basic bioavailability requirements, i.e. absorption, distribution, and binding to receptors.

Content:
The course covers knowledge at the interface between pharmaceutical chemistry, pharmacology, molecular biology and pharmaceutical technology. Approaches generally used at drug structure development, including QSAR, combinatorial chemistry, molecular modelling, and fragment approach are discussed. Structural factors affecting biological effect, factors affecting drug absorption and transport to the place of action, and drug binding to receptors are considered. Polymorphism, influence of particle size, and other physico-chemical methods of drug molecule modification are regarded. The review of actual administrative regulations in the sphere of drug development is provided.
Learning outcomes
After passing the subject, the student will have to know, present, explain or draw:
-meaning of physicochemical properties for drug development, including a simple calculation of a basic lipophilic parameter (log P ...)
-combinatorial chemistry, fragment method, and QSAR as drug development tools
-meaning of metabolism and efflux pumps for drug development
-usage of formula editors, fundamentals of structure encoding, searching for compound properties and information about them by the usage of structure codes
-principles of interactions of small molecules with target structures
specifics of veterinary drugs development
-fundamentals of privileged structures theory and chemogenomics
Syllabus
  • Topics of lectures
  • Introduction into the discipline, its concept and organisation. Combinatorial chemistry as a tool of drug design. (Farsa)
    Physico-chemical properties of compounds and their importance for the activity in the organism. (Goněc)
    Quantitative structure-activity relationships (Farsa)
    Optimisation of physico-chemical properties based on analogy. (Goněc)
    Design of strong analgesics. (Zubáč)
    Development of biologic therapeutics. (Farsa)
    Theory of priviledged structures. Chemogenomics. (Ruprechtová)
    Chemical structure drawing editors, coding of chemical structures. Use of coded chemical structures for searching in data bases / secondary resources and for calculation estimations of physico-chemical properties.(Farsa)
    Design of drugs with respect to their metabolism I. Toxic metabolites. (Goněc)
    Design of drugs with respect to their metabolism II. Prodrugs and their design. (Goněc)
    Development of specific veterinary medicines. (Zubáč)
    Membrane transporters and their importance for drug design. (Goněc)
    Efflux pumps and their importance in drug design and development. (Zubáč)
    Interaction of a target structure and a drug on molecular level. (Goněc)
Literature
    recommended literature
  • Avdeef, A. Absorption and Drug Development. info
  • Fischer, J., Ganellin, C.R. Analogue-based Drug Discovery. ISBN 978-3-572-31257-3. info
  • You, G.F., Morris, M.E. Drug Transporters. ISBN 978-0-471-78491-3. info
  • Pliška, V., Testa, B., van de Waterbeemd, H. Lipophilicity in Drug Action and Toxicology. ISBN 3-527-29383-3. info
  • Hilficker, R. Polymorphism. ISBN 978-3-527-31146-0. info
  • Kerns, E.H., Di, L. Drug-like Properties: Concepts, Structure Design and Methods: from ADME to Toxicity Optimization. 2008. ISBN 978-0-1236-9520-8. info
  • Kubinyi, H. QSAR: Hansch Analysis and Related Approaches. 2008. ISBN 9783527616824. URL info
  • Wermuth, C.G. The Practice of Medicinal Chemistry, 3rd. Edition. 2008. ISBN 978-0-12-374194-3. info
  • Kubinyi H., Müller G. Chemogenomics in Drug Discovery: A Medicinal Chemistry Perspective. 2004. ISBN 9783527603947. info
    not specified
  • Sneader, W. Drug Discovery - A History. 2005. ISBN 9780470015520. URL info
Teaching methods
Letures: this year performed in MS Teams
Seminar: this year, due to pandemics, replaced with a special homework devoted to a QSAR calculation
Assessment methods
With a mark.
On-line quiz in Moodle.
Language of instruction
English
Further Comments
Study Materials
The course can also be completed outside the examination period.
The course is also listed under the following terms Spring 2020, Spring 2022, Spring 2023, Spring 2024, Spring 2025.
  • Enrolment Statistics (Spring 2021, recent)
  • Permalink: https://is.muni.cz/course/pharm/spring2021/FAZV1_15