General provisions

The course is part of the Master's Programme in Pharmaceutical Modelling and is an elective course in the Master of Science Programme in Pharmacy.

Entry requirements

150 credits of which 120 credits in biomedicine, pharmaceutical science, natural science and/or technology. Prior studies should include 10 credits in general chemistry and organic chemistry. Proficiency in English equivalent to the Swedish upper secondary course English 6.

Learning outcomes

On completion of the course, the student should be able to:

KNOWLEDGE AND UNDERSTANDING

• explain how a molecular mechanics force field is constructed
• account for the basics in PCA and PLS modelling
• account for the basics in molecular recognition
• describe strategies to convert peptides to drug-like molecules

COMPETENCE AND SILLS

• apply 3D-QSAR methodology to predict biological effects
• dock molecules to a target protein
•  carry out conformational analysis studies
• carry out a database search to identify molecules that satisfy different pharmacophore criteria
• calculate physico-chemical descriptors and use these in QSAR analyses
• use multivariate techniques to select datasets based on molecular diversity
• build and use in silico models to predict drug absorption
• rank and select molecules based on their predicted biological effects and properties
• orally present and discuss scientific results in English

JUDGEMENT AND APPROACH

• demonstrate insight of the use of predictive models to promote sustainable development

Content

The course gives an introduction to methods and strategies that are used in drug discovery with a focus on computer-aided drug design. The course includes components such as conformational analysis, ligand-based design, peptide modelling, structure-based design, multivariate analysis, and 3D-QSAR. The content of the course is to a large extent included in computer exercises that includes training in software used in drug discovery projects in the industry.

Instruction

The teaching is given in the form of lectures, seminars and computer exercises. All computer exercises are compulsory. The course is given in English.

Assessment

The examination is arranged at the end of the course. A passing grade requires a passed individual oral presentation in English of a project work, a passed written examination and participation in all compulsory parts of the course.

If there are special reasons for doing so, an examiner may make an exception from the method of the assessment indicated and allow a student to be assessed by another method. An example of special reasons might be a certificate regarding special pedagogical support from the University's disability coordinator.

Completion of compulsory parts takes place by agreement with the course coordinator.

Other directives

This course substitutes and corresponds to 3FK119.