Course Information


Course Information
Course Title Code Semester L+U Hour Credits ECTS
INTRODUCTION TO COMPUTER IN MEDICINAL CHEMISTRY 34184047 0 + 0 3.0 3.0

Prerequisites None

Language of Instruction English
Course Level Graduate Degree
Course Type Compulsory
Mode of delivery
Course Coordinator
Instructors
Assistants
Goals Gaining basic knowledge in computer applications to be used in medicinal chemistry.
Course Content Teaching students knowledge about principles of computer techniques, programme usage, chemical information packages in Medicinal Chemistry.
Learning Outcomes 1) Gains the basic knowledge about medicinal chemistry.
2) Set up the computer-aided connection between the possible biological activity of drug substances and their structures.
3) Learns the computer-based drug design methods.

Weekly Topics (Content)
Week Topics Teaching and Learning Methods and Techniques Study Materials
1. Week Identification of Medicinal Chemistry Lecture
Colloquium
Problem Based Learning 		Presentation (Including Preparation Time)
2. Week Programs used in medicinal chemistry Lecture
Colloquium
Problem Based Learning 		Presentation (Including Preparation Time)
3. Week Molecular mechanics and quantum mechanics Lecture
Colloquium
Problem Based Learning 		Presentation (Including Preparation Time)
4. Week Hybrid molecular and quantum mechanics methods Lecture
Colloquium
Problem Based Learning 		Presentation (Including Preparation Time)
5. Week Molecular electrostatic potential Lecture
Colloquium
Problem Based Learning 		Presentation (Including Preparation Time)
6. Week The application of quantum chemical methods to computational medicinal chemistry Lecture
Colloquium
Problem Based Learning 		Presentation (Including Preparation Time)
7. Week Molecular similarity and quantum topology Lecture
Colloquium
Problem Based Learning 		Presentation (Including Preparation Time)
8. Week Protein structures Lecture
Colloquium
Problem Based Learning 		Presentation (Including Preparation Time)
9. Week Docking and scoring Lecture; Question Answer
Opinion Pool
Problem Based Learning 		Presentation (Including Preparation Time)
10. Week Pharmacophore identification and using of 3-dimensional pharmacophore model in 3-D database Lecture; Question Answer
Opinion Pool
Problem Based Learning 		Presentation (Including Preparation Time)
11. Week Quantum chemical molecular descriptors and identifiers Lecture
Colloquium
Problem Based Learning 		Presentation (Including Preparation Time)
12. Week 3D QSAR models in drug design Lecture; Question Answer
Opinion Pool
Problem Based Learning 		Presentation (Including Preparation Time)
13. Week Data mining and virtual screening methods in drug discovery Lecture
Colloquium
Problem Based Learning 		Presentation (Including Preparation Time)
14. Week Final exam


Sources Used in This Course
Recommended Sources
Advanced Computer-Assisted Techniques in Drug Discovery (Methods and Principles in Medicinal Chemistry), Wiley-VCH, 1994.
Computer Assisted Drug Design, Amer Chemical Society, 1979.
QSAR and Molecular Modeling Studies in Heterocyclic Drugs I (Topics in Heterocyclic Chemistry), Springer, 2006. QSAR and Molecular Modeling Studies in Heterocyclic Drugs I (Topics in Heterocyclic Chemistry), Springer, 2006.

Relations with Education Attainment Program Course Competencies
Program RequirementsContribution LevelDK1DK2DK3
PY13000
PY23000
PY33000

*DK = Course's Contrubution.
0 1 2 3 4 5
Level of contribution None Very Low Low Fair High Very High
.

ECTS credits and course workload
Event Quantity Duration (Hour) Total Workload (Hour)
Course Duration (Total weeks*Hours per week) 14 3
Work Hour outside Classroom (Preparation, strengthening) 14 1
Homework 5 1
Presentation (Including Preparation Time) 5 1
Activity (Web Search, Library Work, Trip, Observation, Interview etc.) 10 1
Final Exam 1 1
Total Workload
Total Workload / 30 (s)
ECTS Credit of the Course
Quick Access Hızlı Erişim Genişlet
Course Information
  • Course Information
  • Weekly Topics (Content)
  • Sources Used in This Course
  • Relations with Education Attainment Program Course Competencies
  • ECTS credits and course workload