Elective Course: The Impact of the Structure and Physicochemical Properties of Drugs on Their Pharmacological Properties 1755-F1-ZF-06-J

Lectures
Basic concepts and definitions: anatomical-therapeutic-chemical classification of selected molecules, evaluation of physicochemical properties of an organic compound, in particular: aromaticity, number of rotary bonds, polar surface of a molecule, logarithm of octanol-water partitioning (logP), molecular weight, ability of a substance to form hydrogen bonds.
Use of publicly available databases of organic compounds, drugs and protein structure.
The process of evaluating an organic compound as a drug candidate using modern methods of computational chemistry and molecular modelling.
Evaluation of the potential toxicity of organic compounds using specialised computer software.

Laboratories:
- not applicable
Seminars:
- not applicable

Total student workload

1. The workload associated with classes requiring direct participation of academic teachers is: - participation in lectures: 15 hours. The workload associated with classes requiring direct participation of academic teachers is 15 hours, which corresponds to 0.6 ECTS points. 2. Student workload balance: - participation in lectures: 15 hours - preparation for classes, including reading selected literature: 6 hours - preparation and participation in the final test: 3 + 1 = 4 hours The total workload associated with the implementation of the subject is 25 hours, which corresponds to 1 ECTS point. 3. Student workload balance associated with scientific activities conducted at the university: 25 hours, which corresponds to 1 ECTS point 4. Balance of the student's practical workload: Not applicable.

Learning outcomes - knowledge

W1: Knows the chemical structure of basic medicinal substances - K_C.W2 W2: Knows the theoretical methods used in pharmacy and basics of bioinformatics and molecular modelling in the field of medication design; - K_B.W27 W3: Knows the correlation between chemical structure, physicochemical properties and mechanisms of medicinal substances effect - K_C.W3

Learning outcomes - skills

U1: Can assess the properties of a substance for pharmacological use on the basis of its chemical structure - K_C.U3 U2: Can assess functional properties of auxiliary pharmacological substance - K_C.U19

Learning outcomes - social competencies

K1: Has the ability tonotice and recognize their own limitations, make a self-assessment of deficits and educational needs K_K02

Teaching methods

Lectures: - informative lecture (conventional) with multimedia presentation - problem lecture - conversational lecture

Expository teaching methods

- participatory lecture
- problem-based lecture
- informative (conventional) lecture

Type of course

elective course

Prerequisites

The student should have a basic understanding of the properties of chemical compounds obtained from the organic chemistry, physical chemistry, analytical chemistry courses

Course coordinators

Łukasz Fijałkowski

Assessment criteria

Lecture
Credit on the basis of a written paper constituting a study of a selected topic - W1-W3, U1, U2.

The points obtained are converted into grades according to the following scale:
Percent of points Grade
92-100% Very good
84-91% Good plus
76-83% Good
68-75% Sufficient plus
60-67% Sufficient
0-59% Fail

Practical placement

not applicable

Bibliography

Primary literature:
1. Harvey J. Computational Chemistry Oxford University Press, 2024.
2. Jensen J. H. Molecular Modeling Basics. CRC Press, 2017.
3. Singh D. B. Computer Aided Drug Design. Springer, 2020.

Supplementary literature:
1. Pirhadi, S., Sunseri, J., & Koes, D. R. (2016). Open source molecular modeling. Journal of Molecular Graphics and Modelling, 69, 127-143.
2. Sabe, V. T., Ntombela, T., Jhamba, L. A., Maguire, G. E., Govender, T., Naicker, T., & Kruger, H. G. (2021). Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review. European Journal of Medicinal Chemistry, 224, 113705.
3. Coumar, S. M. Molecular Docking for Computer-Aided Drug Design, Academic Press 2021.

Additional information

Additional information (registration calendar, class conductors, localization and schedules of classes), might be available in the USOSweb system:

Description of 1755-F1-ZF-06-J in USOSweb