Course code: 235H2 |
Course name: Basic Molecular Modelling and Cheminformatics |
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Academic year: |
2024/2025. |
Attendance requirements: |
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ECTS: |
10 |
Study level: |
basic academic studies, integrated basic and graduate academic studies |
Study programs: |
Chemistry: 4. year, winter semester, elective (E14H2) course Chemical Education: 4. year, winter semester, elective (E15P2) course |
Teacher: |
Mario V. Zlatoviæ, Ph.D. |
Assistants: |
— |
Hours of instruction: |
Weekly: four hours of lectures + four hours of exercises (4+4+0) |
Goals: |
This course covers most recent findings and computer tools in medicinal chemistry, bioinformatics and cheminformatics. |
Outcome: |
By successfully completing this course, students will be prepared for working in modern research and development teams in the fields of medicinal chemistry, chemistry of proteins, nanotechnologies, etc. Using the acquired knowledge, they will be capable of making competent decisions about research direction. |
Teaching methods: |
Lectures, theoretical exercises, term paper(s). |
Extracurricular activities: |
— |
Coursebooks: |
Main coursebooks:
Supplementary coursebooks:
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Additional material: |
— |
Course activities and grading method |
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Lectures: |
5 points (4 hours a week) Syllabus: Molecular modeling, protein structure and modeling, structure-based drug design, pharmacophore based drug design, QSAR, library design and synthesis, peptidomimetics, ADME properties and predictions, cheminformatics, general topics. |
Exercises: |
10 points (4 hours a week) Syllabus: Geometry of molecules and stereochemistry, 3D analysis, protein structure and modeling, principles of rational drug design, structure-based drug design, pharmacophore based drug design, QSAR, library design and synthesis, peptidomimetics, ADME properties and predictions, 3D database searching, development of physiologically active compounds. |
Semester papers: |
15 points |
Colloquia: |
20 points |
Homework: |
10 points |
Written exam: |
40 points |