COMPUTER-AIDED DRUG DESIGN

Description

Course Title	Course Code	Semester	Required/Elective	Theory + Practice	ECTS
Computer-Aided Drug Design	ECZ887	IX. SEMESTER	Uzmanlık Alanı Dersleri	1+0	1.5

Language of Instruction	Türkçe
Course Type	Uzmanlık Alanı Dersleri
Course Instructor(s)	DOÇ. DR. ASİYE MERİÇ
Mode of Delivery	The mode of delivery of this course is Face to face
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 Recommended	The students who selected this course should take and pass the Pharmaceutical Chemistry (at least -I, -II) courses on Pharmacy Training Programme
Reading List	1) F. J. Clarke, How Modern Medicines are Discovered, Futura Publishing Company, Mount Kisco, 1973.2) A. Burger, A Guide to the Chemical Basis of Drug Design, John Wiley & Sons, New York, 1983.3) W. Sneader, Drug Discovery: The Evolution of Modern Medicines, John Wiley & Sons, Chichester, 19854) E. Bäumler, Die großen Medikamente. Forscher und ihre Entdeckungen schenken uns Leben, Gustav Lübbe Verlag, Bergisch Gladbach, 1992.5) W. Sneader, Drug Prototypes and their exploitation, John Wiley & Sons, Chichester, 1996.6) H.-J. Böhm, G. Klebe and H. Kubinyi, Wirkstoffdesign, Spektrum Akademischer Verlag, Heidelberg, 1996.7) J. Ryan, A. Newman, and M. Jacobs, Editors, The Pharmaceutical Century. Ten Decades of Drug Discovery, Supplement to ACS Publications, American Chemical Society, Washington, 2000.8) R. Silverman, The Organic Chemistry of Drug Design and Drug Action, 2nd Edition, Elsevier Academic Press, Burlington, 2004.9) Computer-aided drug discovery / edited by Wei Zhang, ISBN 978-1-493-93519-2.10) Genetic algorithms in molecular modeling, Edited by:James Devillers ISBN: 978-0-12-213810-2 11) Computer-aided molecular design, Jean-Pierre Doucet and Jacques WeberISBN: 978-0-12-221285-712) The Science and Business of Drug Discovery, Edward D. Zanders, ISBN 978-1-4419-9901-613) In-Silico Lead Discovery, Editor(s): Maria A. Miteva, ISBN: 978-1-60805-679-814) Emerging Trends in Computing, Informatics, Systems Sciences, and Engineering, Editors; Tarek Sobh, Khaled Elleithy. 15) Frontiers in computational chemistry, Zaheer Ul-Haq and Jeffry D. Madura, Vol 1, 2ISBN: 978-1-60805-979-9. ISBN: 978-1-60805-865-5.Molecular Operating Environment (MOE) (One fully integrated drug discovery software package) by developed Chemical Computing Group (CCG) (www.chemcomp.com). *Molecular Operating Environment (MOE), 2018.01; Chemical Computing Group ULC, 1010 Sherbooke St. West, Suite #910, Montreal, QC, Canada, H3A 2R7, 2019.- Schrodinger Training suites (https://www.schrodinger.com)Acknowledgement:-The lecturer and students would like to thank the CCG for allowing the software to use the teaching license because of the critical role of the MOE software package for educational aims.- They also acknowledged to Schrodinger for allowing their software for training purpose.
Assessment Methods	1 Midterm, 1 homework/project, 1 final exam.
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.