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  1. Faculty of Pharmacy
  2. Course Structure Diagram with Credits
  3. Computer-Aided Drug Design
  4. Description
  • Description
  • Learning Outcomes
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Last Updated: 30/09/2026

Code - Course Title Course Type Laboratory + Practice ECTS
ECZ887 - Computer-Aided Drug Design X. SEMESTER 1 +0 1.5
Language of Instruction Türkçe
Course Type Specialization Courses
Course Instructor(s) DOÇ. DR. ASİYE MERİÇ
Mode of Delivery The mode of delivery of this course is Face to face
Place of Delivery
Used Educational Platforms
Prerequisites The students who selected this course should take and pass the Pharmaceutical Chemistry (at least -I, -II) courses on Pharmacy Training Programme and should know the concept of structure-activity, should know and use effectively 2- and 3-D Chemical Draw Programmes
Courses Recomended The students who selected this course should take and pass the Pharmaceutical Chemistry (at least -I, -II) courses on Pharmacy Training Programme
Recommended Resources - All scientific articles/papers related to topics on Molecular Modelling in Drug Research (via SciFinder and Web of Science)- MOE software package (https://www.chemcomp.com) - Schrodinger Training suites (https://www.schrodinger.com)- Merck Index- RxMediaPharma® 2018 Interactive Drug Information Source, General Editor: Prof. Dr. Levent Üstünes.
Work Placement Students who select this course should have preferably personal laptop computer, since the course will be given as practically on computer. And the students should be able to download and use some free modelling programmes to their computers.
Aims of the Course

Weeks Learning Outcomes Topics Teaching Methods
Week - 1 Computer methods in the Pharmaceutical and Medicinal Chemistry, it’s importance on drug design,
Week - 2 Computer methods in the Pharmaceutical and Medicinal Chemistry, it’s importance on drug design,
Week - 3 ligand-based drug design: Traditional 2D QSAR, Pharmacophor Analyses,
Week - 4 3D QSAR ((CoMFA (Comparative Molecular Field Analysis), CoMSIA (Comparative Molecular Similarity Indices Analysis ) Methods),
Week - 5 3D QSAR ((CoMFA (Comparative Molecular Field Analysis), CoMSIA (Comparative Molecular Similarity Indices Analysis ) Methods),
Week - 6 4D, 5D and 6D-QSAR; (structural-based drug design),
Week - 7 (structural-based drug design), Molecular modelling,
Week - 8 (structural-based drug design), Molecular modelling,
Week - 9 Docking and imaging, molecular mechanics and molecular dinamic methods,
Week - 10 virtual screening, pharmacological modelling,
Week - 11 virtual screening, pharmacological modelling,
Week - 12 Library design, High-throughput screening (HTS),
Week - 13 de novo (synthetic) drug design,
Week - 14 Computer-aided design of enzyme inhibitors as drug-targets.

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