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Course Information

Course Name
Turkish Bilgisayar Yardımlı İlaç Tasarımı: Temelleri ve Uygulamalar
English Comp.Ass.Drug Des.:Funda.&App.
Course Code
HBM 631E Credit Lecture
(hour/week)
Recitation
(hour/week)
Laboratory
(hour/week)
Semester 2
3 3 - -
Course Language English
Course Coordinator Fethiye Aylin Sungur
Fethiye Aylin Sungur
Course Objectives 1. To teach homology modelling of proteins
2. To describe the representation of structural and chemical data
3. To teach computer assisted synthesis of pharmacophores and the design of new drugs
4. To introduce the use of 2-dimensional reduction method for specifying chemical structures
5. To introduce the concepts behind 3D QSAR
Course Description Drug Design, Conformational analysis, Molecular Surfaces ,Statistical Basis of Regression and Partial
Least-Squares Analysis, Databases, Lipophilicity and Partition Coefficient (Log P), 2D-Quantitative Structure-Activity Relationships, 3D-QSAR: Comparative Molecular Field Analysis (CoMFA), 3D-QSAR: Comparative Molecular Similarity Analysis (CoMSIA), Virtual Screening, Homology Model Building
Pharmacophore Modelling, Shape Based Methods, Docking Methods: Search Algorithms, Scoring, Validation of Results, Protein-Ligand Docking
Course Outcomes 1. be able to have an knowledge about the state-of-the art methods and techniques applied in CADD.
2. be able to choose and apply the appropriate method for a given in CADD problem
3. be able to understand the industrial practices of modern drug design technologies
4. have an understanding of the nature of a relational database and how chemical data can be represented in a relational database
5. have an understanding of how to carry out QSAR analysis on chemical compounds
6. be able to reduce a 3-dimensional structure to a 2-D format
Pre-requisite(s)
Required Facilities
Other
Textbook
Other References
 
 
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