ECS518 Drug Active Ingredient Design

Information

Course Goal

Understanding of approaches used for the design of drug molecules.

Course Content

Historical backround of drug design and discovery. Drug-receptor interactions and bond types involved in these interactions. The role of water/lipid solubility in binding, distribution and metabolism of drugs. The importance of stereochemistry in drug action, conformationla flexibility, rigid analogs. The importance of structure-activity relationships for new drug design and the role of acidity-basicity in drug effect. Approaches used for the definition of lead compound. Design based on target macromolecules, endogenous molecules, analogue design, combinatorial chemistry. Pharmacophore definition, lead compound modification and optimization .Bioisosterism, classical and non-classical bioisosters .Prediction of lipophilicity, ionization and steric parameters. Pro-drug design, drug targeting and soft drug design. Drug design based on enzymes, enzyme inhibitors. Toxic effects due to the functional groups and their correction Examples of succesful applications for rational drug design.

Course Precondition

None

Resources

H. Akgün, A. Balkan, A. A. Bilgin, Ü. Çalış ve ark. Farmasötik Kimya Kitabı, Hacettepe Üniversitesi Yayınları, 2013. SC Gad (Ed.), Drug discovery handbook, John Wiley and Sons, Inc., 2005. An Introduction to Medicinal Chemistry, Gareth Thomas, Wiley.

Notes

H. Akgün, A. Balkan, A. A. Bilgin, Ü. Çalış ve ark. Farmasötik Kimya Kitabı, Hacettepe Üniversitesi Yayınları, 2013. SC Gad (Ed.), Drug discovery handbook, John Wiley and Sons, Inc., 2005. An Introduction to Medicinal Chemistry, Gareth Thomas, Wiley.

Course Learning Outcomes

Relation with Program Learning Outcome

Week Plan

Student Workload - ECTS