Pharmacy M.Sc. and Ph.D students. For organizational reasons the course is limited to 15 students.
Courses PROV-101A or Lääkekehityskaari (590248) or equivalent.
Provide the students knowledge and hands-on practical experience about computational techniques in drug discovery.
The course is suited for 4 th year pharmacy students or for master students from other relevant scientific disciplines (e.g. biochemistry, chemistry, bioinformatics), as well as graduate students. This course is organized to complement PROV-602 Medicinal Chemistry and will run in parallel.
Each spring, third and fourth period.
The course will present an overview of modern computational methods in drug discovery and chemical biology. The lectures will be supported by hands-on tutorial (6 sessions) as well as group discussions.
Contents: Structure-based ligand design, homology modeling and ligand docking; Fragment-based approaches; Solvent effects; Virtual library screens, both structure-based screens and pharmacophore-based; Chemoinformatics, molecular similarity; QSAR modeling, in particular 3D QSAR modeling.
Silverman, R. B. & Holladay, M. W., The Organic Chemistry of Drug Design and Drug Action, 3. painos, Academic Press, 2014, ISBN 978-0-12-382030-3
Grading scale 0-5. Examination and homework.
Lectures and group discussions, 20 hours. Exercices and computer-based exercices 18h (6 sessions of 3h). Personal work abt 90h.