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Cyprus International University
TR

DRUG DESIGN

Course
PHAR511 - DRUG DESIGN
Department
Pharmacy - English - Undergraduate
Course Type
Course
Status
Required
Language
English
Credit
2
ECTS
2
T+P+L
2 + 0 + 0
Course Coordinator(s)
Asst. Prof. Dr. Mohammed T. N. QAOUD
Prerequisite
-
Keywords

Course Description

Historical background of drug design and discovery, drug-receptor interactions and bond types involved in these interactions, the role of water/lipid solubility in binding, importance of stereochemistry in drug action, conformational flexibility, rigid analogs, importance of structure-activity relationships for new drug design and the role of acidity-basicity in drug effect, approaches used for the definition of lead compounds, design based on target macromolecules, endogenous molecules, analogue design, combinatorial chemistry, pharmacophore definition, lead compound modification and optimization, prediction of lipophilicity, ionization and steric parameters, pro drug design, drug targeting and soft drug design, the drug design based on enzymes, enzyme inhibitors, toxic effects due to functional groups and their corrections, examples of successful applications for rational drug design are the main topics.

DRUG DESIGN

Evaluation Tools (Active Term)

Item Type Weight (%)
Phar5011-Midterm Midterm 35
Phar5011-Final Ecam Final 50
Phar511-Assignment Assignment 15
Total 100

Course outcomes

No course outcomes have been defined yet.

Course Syllabus

Week Topic
Week 1 Explain the fundamental principles of chemical bonding, molecular geometry, and hybridization and relate these concepts to the three-dimensional structures and chemical properties of drug molecules.
Week 2 Analyze the intermolecular interactions relevant to drug–target recognition, including hydrogen bonding, ionic interactions, hydrophobic interactions, van der Waals forces, and π-interactions, and relate these interactions to ligand binding.
Week 3 Interpret the thermodynamic principles governing ligand–receptor binding affinity, including Gibbs free energy (ΔG), enthalpy (ΔH), entropy (ΔS), desolvation, and steric effects, and evaluate their contributions to molecular recognition and binding optimization.
Week 4 Apply the principles of molecular recognition and structure–activity relationships (SAR) to predict how structural modifications influence ligand–target interactions, binding affinity, potency, and biological activity.
Week 5 Evaluate the influence of physicochemical properties on drug absorption and oral bioavailability, including ionization (pKa), lipophilicity (LogP/LogD), solubility, molecular flexibility, hydrogen-bonding capacity, Lipinski's Rule of Five, and Veber's Rule.
Week 6 Analyze medicinal chemistry strategies used in lead optimization and evaluate how chemical modifications can improve pharmacodynamic and pharmacokinetic properties while enhancing the therapeutic potential of drug candidates.
Week 7 Apply in silico chemoinformatics and computer-aided drug design approaches to investigate molecular structures, physicochemical properties, molecular descriptors, drug-likeness, molecular similarity, and structure–activity relationships.
Week 8 Midterm Exam
Week 9 Evaluate computational approaches for predicting pharmacokinetic and ADMET properties of drug candidates and interpret in silico results to support drug design, candidate selection, and structural optimization.
Week 10 Explain the principles of proton (^1H) and carbon (^13C) nuclear magnetic resonance (NMR) spectroscopy and interpret NMR spectra to identify structural features and confirm the chemical structures of drug molecules.
Week 11 Explain the fundamental principles of mass spectrometry and interpret mass spectra to determine molecular mass, molecular formula, characteristic fragmentation patterns, and structural information for pharmaceutical compounds.
Week 12 Integrate spectroscopic and computational approaches in drug design and structural characterization by combining NMR, mass spectrometry, chemoinformatics, molecular modeling, and physicochemical data to evaluate and confirm drug structures.
Week 13 Critically evaluate contemporary drug-design strategies and compare structure-based, ligand-based, pharmacophore-based, fragment-based, and computational approaches for the discovery and optimization of drug candidates.
Week 14 Integrate molecular, computational, physicochemical, and analytical approaches to propose and evaluate drug-design strategies, considering molecular interactions, SAR, pharmacokinetics, pharmacodynamics, ADMET properties, and structural characterization.
Week 15 Final Exam

Reference Books & Course Materials

  1. 01 An introduction to medicinal chemistry by Graham Patrick
  2. 02 Gareth Thomas – Medicinal Chemistry: An Introduction
  3. 03 Richard B. Silverman & Mark W. Holladay – The Organic Chemistry of Drug Design and Drug Action

Learning Outcomes

  1. L01 Analyze the drug targets SOLO 4
  2. L02 Identifying a pharmacophore SOLO 2
  3. L03 Discuss on the strusture activity relationship of the drugs SOLO 5
  4. L04 Explain the observed behaviour of the drugs at target site SOLO 4

Program Outcomes

  1. P01 Gain the ability to apply the Pharmacy profession.
  2. P02 Interpret the accuracy and reliability of the current theoretical and practical knowledge in the field of pharmacy, as well as being able to follow and evaluate innovations.
  3. P03 Practically apply the knowledge they gain on pharmaceutical sciences. The acquired knowledge and skills allow the graduates to act as the closest health consultant to the public with the ability to inform the public.
  4. P04 Evaluate and apply current technology related to basic subjects and principles covering pharmacy and health sciences and take part in in-service training seminars.
  5. P05 Know the risks and evaluation of the use of drugs and other chemicals and safe laboratory practices (GMP).
  6. P06 Acquire the ability to interpret the findings obtained by qualitative and quantitative measurements and to reach valid scientific results from the data.
  7. P07 Prepare pharmaceuticals and provide guidance on the use of pharmaceutical products.
  8. P08 Design research and develop projects related to pharmaceutical products; manage and share the results.
  9. P09 Be competent to accurately and intelligibly communicate and transfer knowledge about prescription content and pharmaceutical products to the patient / user. The graduates are trained on taking necessary precautions for safe drug usage and encouraging rational drug use, as well as providing consultancy and supervision.
  10. P10 Work in an interdisciplinary environment. Graduates can cooperate with other professional groups, participate in vocational training and activities, have proper knowledge and communication skills.
  11. P11 Take part in social responsibility projects related to health. Graduates have awareness on sustainable environment and participate in activities and practices related to their profession.
  12. P12 Open a community pharmacy, also work in hospital pharmacies, can work in different fields related with pharmaceuticals, cosmetics, medical and herbal products, as well as production and quality control in the pharmaceutical industry. Takes part in the professional development of herself/himself, her/his colleagues and pharmacy students.
  13. P13 Implements the legal and professional law and ethics as a health professional, in issues concerning public health.
  14. P14 Knows and applies the processes related to drug design from natural or synthetic sources, as well as development, preparation, analysis and metabolism of drugs in the human body.

Po-Lo Matrix

LO P01 P02 P03 P04 P05 P06 P07 P08 P09 P10 P11 P12 P13 P14 Average
L01 - - - - - - - - - - - - - - -
L02 - - - - - - - - - - - - - - -
L03 - - - - - - - - - - - - - - -
L04 - - - - - - - - - - - - - - -