Daten
Offizielle Daten in der Fachveröffentlichung für das folgende akademische Jahr: 2022-2023
Lehrbeauftragte/r
-
Dr. Rita Judit BÖRZSEI
assistant professor,
Department of Pharmacology and Pharmacotherapy -
Semesterwochenstunden
Vorlesungen: 0
Praktika: 12
Seminare: 0
Insgesamt: 12
Fachangaben
- Kode des Kurses: OTF-FIG-T
- 1 kredit
- Biotechnology BSc
- Optional modul
- spring
keine
Zahl der Kursteilnehmer für den Kurs:
min. 5 – max. 40
Erreichbar als Campus-Kurs für 40 fő számára. Campus-karok: ÁOK GYTK
Thematik
The Pharmacoinformatics in practice course offers the students an insight into the theoretical and practical aspects of computational molecular modelling. This knowledge is suitable to have an overview on a rapidly developing scientific area. The students will get familiar with such programes and file format that are both used by industrial drug development and scientific researchers today. Homology modelling is sufficient to produce the atomic resolution structures of protein drug targets found in the human body. To attach the drug to its experimentally available (or homology modelled) structure, computational docking is widely used. The investigation of this binding mechanism is important for molecular pharmacological researches.
Vorlesungen
Praktika
- 1. Introduction into molecular modeling. Learning about PDB file format.
- 2. PyMol grafical interface. Molecule's representation in 3D.
- 3. Molecule's building based on their Lewis-formula and/or sequence.
- 4. RCSB PDB Databank. 3D atomic structure of receptors and enzymes.
- 5. Structural analysis of target-ligand complex.
- 6. Determination of interacting target residues and the type of interaction in a target-ligand complex.
- 7. Theoretical basis of homology modelling
- 8. Homology model building: UniProt Database, BLAST search, Modeller program package.
- 9. Validation of the homology model: Procheck, Ramachandran plot.
- 10. Theoretical basis of docking calculations.
- 11. Docking using on online server.
- 12. Analysis of docking calculation, determination of the optimal binding pose of the ligand.
Seminare
Materialien zum Aneignen des Lehrstoffes
Obligatorische Literatur
Vom Institut veröffentlichter Lehrstoff
The educational material will be available on NEPTUN Meet Street in digital form.
Skript
Empfohlene Literatur
Alan Hinchliffe: Molecular Modelling for Beginners, Wiley, Chichester, U.K. 2003.
Voraussetzung zum Absolvieren des Semesters
Maximum of 25 % absence allowed
Semesteranforderungen
Students write a multiple-choice test at the end of the course. The result of the test should reach or exceed 60% to be assessable. If the student does not reach 60% performance, he/she will be given two remediation opportinities.
Möglichkeiten zur Nachholung der Fehlzeiten
Replacement is possible according to personal consultation
Prüfungsfragen
They will be available on Neptun Meet Street in digital form.
Prüfer
Praktika, Seminarleiter/innen
- Dr. Börzsei Rita Judit
- Dr. Zsidó Balázs Zoltán