SFKKM9011U Structural and Computational Medicinal Chemistry
The course focuses on molecular modelling techniques and their
use in modern drug research, illustrated through lectures,
exercises, and project work. In the lectures, the students are
introduced to the fundamental principles behind the methods in
molecular modeling. In the exercises, the students get hands-on
experience with modern computer-based tools, and the project work
gives the opportunity to apply these tools on a drug targets with
the aim of understanding and improving the binding to a protein
target.
The methods covered in the lectures, exercises, and project work
are:
- Investigating bioactive conformations of drug-like molecules
- Analyzing molecular characteristics of ligands and protein binding sites
- Structure-based drug design and ligand-based drug design
- Pharmacophore development and quantitative structure activity relationships (QSAR)
- Homology modelling
- Docking of ligands into the binding pocket of the target protein.
- Investigating protein-protein interfaces relevant for biopharmaceutics
Formål / Objective
The course is relevant for research within the drug discovery area and other areas where it is important to:- have knowledge about experimental and theoretical methods that can be used to analyze molecular characteristics of biologically important molecules
- understand the interactions between ligands and biomacromolecules
- get hands-on experience with modern tools in molecular modeling to achieve skills to develop new compounds
Målbeskrivelse / Course outcome
At the end of this course, students will
- have gained an understanding of the characteristics that influence the relationship between molecular structure and biological activity
- be able to use and critically evaluate results achieved from structure determination of proteins and drug-related compounds
- be able to use and critically evaluate results obtained with modern computer-based methods for structure-activity analysis of biologically active compounds
- have gained knowledge of the principles and methods used for rational discovery and development of new or better drugs
- have hands-on experience with modern tools in molecular modeling.
- Reviews and scientific papers available at the course website
- Supplementary notes (notes with additional information on methods used – to be downloaded from course homepage)
•Computer exercises: 20 hours
•Project work: 70 hours
•Supervision during project work: guidelines will be available on the course homepage
•Exam: 0,5 hours
- Category
- Hours
- Exam
- 21
- Lectures
- 25
- Preparation
- 70
- Project work
- 70
- Theory exercises
- 20
- Total
- 206
For enrolment at the course the student has to fill in an
application. If the student is accepted in the course he/she will
automatically be enrolled in STADS
Open for Danish and international guest students.
- Credit
- 7,5 ECTS
- Type of assessment
- Oral examinationPrøveform / Examination type:
Individual oral exam.
Prøvedesign / Examination design
Individual 30-minute oral exam (assessment included) with a presentation of project work (based on the poster) as starting point for the exam, followed by an examination in the methods presented and used during the course, i.e. all the written course material. The student is expected to present:
detailed knowledge of specified topics in the course material,
basic knowledge of the rest of the course material, and
detailed knowledge of own project - Exam registration requirements
- The student must hand in a poster (prepared in groups of two students) about the project work in order to qualify for the exam.
- Aid
- All aids allowed
- Marking scale
- 7-point grading scale
- Censorship form
- No external censorship
Criteria for exam assesment
Beskrivelse af prøven og bedømmelse / Description of examination and assessment criteria
Karakterbeskrivelse / Description of grades
12 - Excellent performanceThe student demonstrates a high-level command of and scientific insight into all aspects of the material.
The student demonstrates in general with a few minor weaknesses:
- convincing understanding of the characteristics that influence the relationship between molecular structure and biological activity
- convincing ability to use and critically evaluate results achieved from structure determination of proteins and drug- related compounds
- convincing ability to use and critically evaluate results obtained with modern computer-based methods for structure-activity analysis of biologically active compounds
- convincing knowledge of the principles and methods used for rational discovery and development of new or better drugs.
The student demonstrates a reasonable level of command of and scientific insight into the material.
The student demonstrates in general with some weaknesses:
- reasonable understanding of the characteristics that influence the relationship between molecular structure and biological activity
- reasonable ability to use and critically evaluate results achieved from structure determination of proteins and drug related compounds
- reasonable ability to use and critically evaluate results obtained with modern computer-based methods for structure-activity analysis of biologically active compounds
- reasonable knowledge of the principles and methods used for rational discovery and development of new or better drugs
The student demonstrates a reasonable level of command of and scientific insight into the material.
The student demonstrates in general with several weaknesses:
- acceptable understanding of the characteristics that influence the relationship between molecular structure and biological activity
- acceptable ability to use and critically evaluate results achieved from structure determination of proteins and drug related compounds
- acceptable ability to use and critically evaluate results obtained with modern computer-based methods for structure-activity analysis of biologically active compounds
- acceptable knowledge of the principles and methods used for rational discovery and development of new or better drugs.
Course information
- Language
- English
- Course code
- SFKKM9011U
- Credit
- 7,5 ECTS
- Level
- Full Degree MasterFull Degree Master choice
- Duration
- 1 block
- Placement
- Block 2
- Schedule
- C (Mon 13-17 + Wednes 8-17)
- Course capacity
- 24 students
- Study board
- Study Board of Pharmaceutical Sciences
Contracting department
- Department of Drug Design and Pharmacology
Course responsibles
- Karla Andrea Frydenvang (16-6d63746e633068747b666770786370694275777066306d7730666d)
- Lars Olsen (2-727546797b746a34717b346a71)