Course Plan (Syllabus): Drug Design and Discovery

Transcription

1 Course Plan (Syllabus): Drug Design and Discovery (A) Course Identification and General Information Course Number & Code PPC 515 Course Title Drug Design and Discovery (Elective course) Program (s) in which the course is offered B.Pharm.Sc. Credit Units 2 Units' Type Theo. 1 Prac. 1 Language of teaching the course English Study level/year at which this course is offered 9 th Pre requisite (if any) PPC 414 Co requisite (if any) Location of teaching the course (B) Course Description This course deals with the knowledge of drug discovery strategies in direct drug design (structure will be discussed and based) and indirect drug design (ligandbased). Different QSAR approaches analysis of factors affecting QSAR models and their utilization in finding new hits. Application of different molecular modeling techniques will be covered. (C) Course Objectives Upon successful completion of the course, students will be able to: 1) Recognize different methods of drug discovery. 2) Define new methodologies for analysis of ligands with their bound protein targets. 3) Identify the key elements in drugtarget interactions and use this information in drug design. 4) Explain new methodologies for drug intervention through application of different softwares. 5) Describe new ideas in utilizing main approaches of ligandbased and structurebased virtual screening methods.

2 (D) Course Items Distribution of Semester Weekly Plan of Course Items and Activities Theoretical Aspect : (Topics to be Covered) Order Week Due Topics List 1 1 Introduction to The Drug Discovery and Development 2 2 Approaches to New Drug Discovery 3 3 Enzymes as Targets of Drug Design 4 4 Receptors as Targets of Drug Design 5 5 ComputerAided Drug Design, Introduction 6 6 Lead Optimization and ComputerAided Drug Design 7 7 Computational protein and ligand structures analyses 8 8 Protein structure and modeling 9 9 Molecular mechanics and dynamics Structurebased design strategies Chemoinformatics and drug design Ligandbased design strategies QSAR and pharmacophore approaches Molecular docking Drug design protocols examples

3 Application part (Practical): (Topics to be Covered) Order Week Due Topics List 1 1 Molecular viewing and graphics programs. 2 2 Molecular representations. 3 3 Protein structure analysis. 4 4 Homology modeling. 5 5 Molecular surfaces and conformation search. 6 6 Molecular databases and descriptors. 7 7 Fingerprints and similarity search. 8 8 QSAR Analysis 9 9 Molecular docking Ligandtarget interaction properties Molecular basis of dugs Ligand selectivity analysis Pharmacophore design and search 14 14, 15 Virtual screening in different databases

4 (E) Schedule of Assessment Tasks for Students During the Semester Type of Assessment Assessment Tasks 1 Drills Week Due Mark Proportion of Final Assessment 2 Exercises & Home works 3 Project ( single\group) % 4 Research 5 Essay/Report 6 Participation 7 Practical Tests 8 Oral Tests 9 Quizzes 10 Written Test (1) 11 Written Test (2) 7, % 12, % 12 Final Exam (practical) % 13 Final Exam (theoretical) 17, % 14 Others

5 (F) Learning Resources Written in the following order: ( Author Year of publication Title Edition Place of publication Publisher) 1 Required Textbook(s) (maximum two). 1) Shayne C. Gad, (2005), Drug Discovery Handbook, 2nd edition, John Wiley & Sons: New York. 2) Tudor I. Opera, (2005), Chemoinformatics in Drug Discovery, 5th edition, John Wiley & Sons: New York. 2 Essential References. 1) HansDieter Holtje and Gerd Folkers,(2003), Molecular Modeling: Applications, 2 nd th edition, WileyVCH. Basic Principles and 3 Recommended Books and Reference Materials. 1) John Block and John Beale, (2004), Wilson and Griswold s Text book of organic Medicinal Chemistry and Pharmaceutical Chemistry, 11th Edition, Lippincott Williams and Wilkins. 2) Kerns, E.H.; and Di, L. (2008), DrugLike Properties: Concepts, Structure Design and Methods: from ADME to Toxicity Optimization, Academic Press, Oxford. 4 Electronic Materials and Web Sites etc. 1) Jusur electronic leraning system ( ) 2) Homology modeling using SwissModel ( or Modeller: ( 3) /modeling.htm and 5 Other Learning Material (such h as computerbased programs/cd, professional standards/ regulations). 1) Molecular Operating Environment (MOE). 2) Sybyl software program, by tripos a certara company at