Universität Wien
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320073 VO Analysis of Structure-Activity Relationships (2011S)

0.50 ECTS (1.00 SWS), SPL 32 - Pharmazie

Details

Language: German

Lecturers

Classes (iCal) - next class is marked with N

  • Monday 07.03. 17:00 - 18:30 UZA2 Hörsaal 4 (Raum 2Z221) 2.OG
  • Monday 21.03. 17:00 - 18:30 UZA2 Hörsaal 4 (Raum 2Z221) 2.OG
  • Monday 28.03. 17:00 - 18:30 UZA2 Hörsaal 4 (Raum 2Z221) 2.OG
  • Monday 04.04. 17:00 - 18:30 UZA2 Hörsaal 4 (Raum 2Z221) 2.OG
  • Monday 11.04. 17:00 - 18:30 UZA2 Hörsaal 4 (Raum 2Z221) 2.OG
  • Monday 02.05. 17:00 - 18:30 UZA2 Hörsaal 4 (Raum 2Z221) 2.OG

Information

Aims, contents and method of the course

Content: historical overview; identification of lead compounds (serendipity, natural products, metabolism, side effects, transition state mimicry, high throughput screening); interaction forces involved in drug-biomolecule interaction (electrostatic, steric, hydrophobic, hydrogen bonding); descriptors (logP, sigma Hammett, Verloop, Taft parameters, autocorrelation vectors, indicator variables); receptor theories, determination of biological activity; methods for correlation analysis (Hansch-analysis, Free-Wilson, Topliss approach); statistical validation of models (external test set, cross validation, random shuffling); 3D-QSAR methods (CoMFA, CoMSIA); structure based drug design; de novo design (LUDI);

Prerequisites: 1st part completed

Exam: oral

Assessment and permitted materials

Vorraussetzungen: abgeschlossener 1. Studienabschnitt
Prüfung: mündlich

Minimum requirements and assessment criteria

Examination topics

Reading list

Association in the course directory

A400

Last modified: Sa 02.04.2022 00:27