| MEDICINE | |||||
| Bachelor | TR-NQF-HE: Level 6 | QF-EHEA: First Cycle | EQF-LLL: Level 6 | ||
| Course Code | Course Name | Semester | Theoretical | Practical | Credit | ECTS |
| MED3019 | Principles of Computer Aided Drug Design | Spring | 2 | 0 | 2 | 2 |
| This catalog is for information purposes. Course status is determined by the relevant department at the beginning of semester. |
| Language of instruction: | English |
| Type of course: | Departmental Elective |
| Course Level: | Bachelor’s Degree (First Cycle) |
| Mode of Delivery: | Face to face |
| Course Coordinator : | Prof. Dr. SERDAR DURDAĞI |
| Recommended Optional Program Components: | None |
| Course Objectives: | This course aims to introduce principal concepts in drug design, and specifically the role of computational models. Various methods that are used in computer aided drug design would be discussed, and the basic principles to understand these methods will also be taught. |
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The students who have succeeded in this course; The basic principles of how new drugs are discovered with emphasis on lead identification, lead optimization, classification and kinetics of molecules targeting enzymes and receptors, prodrug design and applications, as well as ligand-based and structure-based drug design techniques will be introduced. |
| -Introduction to computational methods -Potential energy surface -Force Field parameters -Conformational analysis -Energy calculations using molecular mechanics -Free energy of binding -Basics of chemical bonding -Drug design -Traditional drug design -Drug-receptor interactions -Biological activity and various measures -Importance of computational methods in drug design Databases -Biomolecules & small molecules -Ligand based drug design -Structure activity relationship -Quantitative structure activity relationship (2D & 3D methods) -QSAR parameters -QSAR validation -Pharmacophore based models -Structure based drug design -Docking -Discussion of various common algorithms -Protein flexibility in docking -Scoring functions -De novo drug design -Molecular similarity analysis -ADMET prediction -Advanced topics in drug design (Student Seminars) |
| Week | Subject | Related Preparation |
| Course Notes / Textbooks: | Textbook of drug design & discovery (Ed. Krogsgaard -Larsen & Lilijefors and Madsen) 2001, CRC Pharmacophore perception, development, and use in drug design (Ed. Gunter) 2000 |
| References: | Molecular modeling: principles and applications (Leach) 2001, Prentice Hall |
| Semester Requirements | Number of Activities | Level of Contribution |
| Total | % | |
| PERCENTAGE OF SEMESTER WORK | % 0 | |
| PERCENTAGE OF FINAL WORK | % | |
| Total | % | |
| No Effect | 1 Lowest | 2 Low | 3 Average | 4 High | 5 Highest |
| Program Outcomes | Level of Contribution | |
| 1) | Integrates the knowledge, skills and attitudes acquired from basic and clinical medical sciences, behavioral sciences and social sciences, and uses them in health service delivery. | |
| 2) | In patient management, shows a biopsychosocial approach that takes into account the socio-demographic and sociocultural background of the individual, regardless of language, religion, race and gender. | |
| 3) | In the provision of health services, prioritizes the protection and development of the health of individuals and society. | |
| 4) | Taking into account the individual, societal, social and environmental factors affecting health; does the necessary work to maintain and improve the state of health. | |
| 5) | By recognizing the characteristics, needs and expectations of the target audience, provides health education to healthy/sick individuals and their relatives and other healthcare professionals. | |
| 6) | Shows a safe, rational and effective approach in health service delivery, prevention, diagnosis, treatment, follow-up and rehabilitation processes. | |
| 7) | Performs invasive and/or non-invasive procedures in diagnosis, treatment, follow-up and rehabilitation processes in a safe and effective way for the patient. | |
| 8) | Provides health services by considering patient and employee health and safety. | |
| 9) | In the provision of health services, takes into account the changes in the physical and socioeconomic environment on a regional and global scale, as well as the changes in the individual characteristics and behaviors of the people who apply to it. | |
| 10) | Takes good medical practice into account while carrying out his/her profession. | |
| 11) | Fulfills its duties and obligations within the framework of ethical principles, rights and legal responsibilities required by its profession. | |
| 12) | Demonstrates decisive behavior in providing high-quality health care, taking into account the integrity of the patient. | |
| 13) | Evaluates his/her performance in his/her professional practice by considering his/her emotions and cognitive characteristics. | |
| 14) | Advocates improving the provision of health services by considering the concepts of social reliability and social responsibility for the protection and development of public health. | |
| 15) | Can plan and carry out service delivery, training and consultancy processes related to individual and community health in cooperation with all components for the protection and development of health. | |
| 16) | Evaluates the impact of health policies and practices on individual and community health indicators and advocates increasing the quality of health services. | |
| 17) | The physician attaches importance to the protection of his/her own physical, mental and social health, and does what is necessary for this | |
| 18) | Shows exemplary behavior and leads the healthcare team during service delivery. | |
| 19) | Uses resources cost-effectively, for the benefit of society and in accordance with the legislation, in the planning, implementation and evaluation processes of health services in the health institution he/she is the manager of. | |
| 20) | Establishes positive communication within the health team it serves and assumes different team roles when necessary. | |
| 21) | Is aware of the duties and responsibilities of the health workers in the health team and acts accordingly. | |
| 22) | In the professional practices, works in harmony and effectively with the colleagues and other professional groups. | |
| 23) | Communicates effectively with patients, their relatives, healthcare professionals, other professional groups, institutions and organizations. | |
| 24) | Communicates effectively with individuals and groups that require a special approach and have different socio-cultural characteristics. | |
| 25) | In the diagnosis, treatment, follow-up and rehabilitation processes, shows a patient-centered approach that associates the patient with the decision-making mechanisms. | |
| 26) | Plans and implements scientific research, when necessary, for the population it serves, and uses the results and/or the results of other research for the benefit of the society. | |
| 27) | Reaches and critically evaluates current literature knowledge about his/her profession. | |
| 28) | Applies the principles of evidence-based medicine in clinical decision making. | |
| 29) | Uses information technologies to increase the effectiveness of its work on health care, research and education. | |
| 30) | Effectively manages individual work processes and career development. | |
| 31) | Demonstrates skills in acquiring and evaluating new knowledge, integrating it with existing knowledge, applying it to professional situations and adapting to changing conditions throughout professional life. | |
| 32) | Selects the right learning resources to improve the quality of the health service it offers, organizes its own learning process |