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Teaching GuideTerm Faculty of Science |
| Mestrado Universitario en Investigación Química e Química Industrial (Plan 2017) |
 Subjects |
| Medicinal Chemistry |
| Contents |
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| Identifying Data | 2018/19 | |||||||||||||
| Subject | Medicinal Chemistry | Code | 610509116 | |||||||||||
| Study programme |
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| Descriptors | Cycle | Period | Year | Type | Credits | |||||||||
| Official Master's Degree | Yearly |
First | Optional | 3 | ||||||||||
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| Topic | Sub-topic |
| Chapter 1. General aspects, definitions and concepts | Drug discovery: historical perspective. Drug activity phases. Enzymatic catalysis. Definitions and concepts: agonist, antagonist, transition state analogs, reversible inhibition (competitive, non-competitive), irreversible inhibition, suicide substrates. Examples. |
| Chapter 2. Therapeutic targets | Therapeutic targets: classification and their main characteristics. Enzymes. Membrane transporters. Voltage-gated ion channels. Non-selective cation channels. Receptors with intrinsic ion channels. Receptors with intrinsic enzymatic activity. Receptors coupled to various cytosolic proteins. G-protein-coupled receptors. Nuclear receptors. |
| Chapter 3. Strategies for drug discovery I. Structure-based design | Evolution of the structure-based design in drug discovery. Practical aspects of the determination of the three dimensional structure of a target-X-ray crystallography for the structure-based design. Applications of NMR spectroscopy in the rational design. Docking. Molecular dynamics simulations. QM/MM. Examples. |
| Chapter 4. Strategies for drug discovery II. Virtual screening and fragment-based design | Basics of the virtual screening candidates. Available databases. Applications: identifying ligands for a target or potential targets of a ligand. Basics of the fragment-based design. Screening of candidates by X-ray crystallography. Other biophysical screening methods. Examples. |
| Chapter 5. Hit Compound optimization. QSAR studies | Molecular modifications based on isosteric replacement. Conformational restriction and steric hindrance in medicinal chemistry. Homo and heterodimeric ligands. Prodrugs. Quantification of Structure-Activity Relationship (QSAR). |
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