FaF:F1ZV1_15 Molecular Principles of Drug D - Course Information

F1ZV1_15 Molecular Principles of Drug Design

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. Peter Zubáč (lecturer)

Guaranteed by

doc. PharmDr. Oldřich Farsa, Ph.D.
Department of Chemical Drugs – Departments – Faculty of Pharmacy

Timetable

Thu 14:15–15:45 44-037

• Timetable of Seminar Groups:

F1ZV1_15/01: each even Thursday 15:45–17:15 44-016, O. Farsa, T. Goněc

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: 1/24, only registered: 0/24

fields of study / plans the course is directly associated with

• Pharmacy (programme FaF, M-FARM)

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

• Syllabi of lectures
• 1. Introduction into the discipline, its concept and organisation. Combinatorial chemistry as a tool of drug design. (Farsa)
  2. Physico-chemical properties of compounds and their importance for the activity in the organism. (Goněc)
  3. Quantitative structure-activity relationships (Farsa)
  4. Optimisation of physico-chemical properties based on analogy. (Goněc)
  5. Design of strong analgesics. (Zubáč)
  6. Development of biologic therapeutics. (Farsa)
  7. Theory of priviledged structures. Chemogenomics. (Hudcová)
  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)
  9. Design of drugs with respect to their metabolism I. Toxic metabolites. (Goněc)
  10. Design of drugs with respect to their metabolism II. Prodrugs and their design. (Goněc)
  11. Development of specific veterinary medicines. (Zubáč)
  12. Membrane transporters and their importance for drug design. (Goněc)
  13. Efflux pumps and their importance in drug design and development. (Zubáč)
  14. 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
• Beneš, L., Farsa, O. Farmaceutická chemie. (Farmakochemie). Úvod do studia chemických léčiv. VFU Brno, 2005. ISBN 80-7305-516-3. info
• Kubinyi H., Müller G. Chemogenomics in Drug Discovery: A Medicinal Chemistry Perspective. 2004. ISBN 9783527603947. info
• Hartl, J., Palát, K. Farmaceutická chemie I. Karolinum, Praha, 1998. ISBN 80-7184-619-8. info
• Kuchař M., Rejholec V. Využití kvantitativních vztahů mezi strukturou a biologickou aktivitou. Academia,. Praha, 1987. info

Teaching methods

On-line lectures via MS Teams.
Seminars are replaced with homework devoted to QSAR calculations.

Assessment methods

With a mark.
On-line quiz in Moodle.

Language of instruction

Czech

Further Comments

Study Materials
The course can also be completed outside the examination period.

• Enrolment Statistics (Spring 2021, recent)
  
• Permalink: https://is.muni.cz/course/pharm/spring2021/F1ZV1_15