Course code:
235H2		 Course name:
Basic Molecular Modelling and Cheminformatics

Academic year:

2024/2025.

Attendance requirements:

201A2 + 202A2

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.
full professor, Faculty of Chemistry, Studentski trg 12-16, Beograd

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:

  • H.-D. Höltje, W. Sippl, D. Rognan, G. Folkers: Molecular Modeling: basic principles and applications, 3rd ed., Wiley-VCH, 2008, ISBN 978-3-527-31568-0.
  • M. Zlatović, D. Petrović, Osnovi molekulskog modelovanja, praktikum, Henijski fakultet Univerzitet u Beogradu, 2016, ISBN 978-86-7220-078-2

Supplementary coursebooks:

  • Current papers and additional material.

Additional material:

—

  Course activities and grading method

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