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Pharmaceutical Chemistry/ Medicinal Chemistry
Pharmaceutical Chemistry (Joint Lecture)
(Pharmazeutische Chemie)
Lecture: 4 hours per week (winter and summer semester)
ECTS credits: 15
Topics :
- Chemotherapy of infections: antibacterial, antifungal and antiviral agents.
- Anticoagulant and thrombolytic drugs.
- Hormones: Adenohypophyseal hormones, hypothalamic releasing factors; thyroid drugs;
estrogens and gestagens; oral contraceptives; pregnancy tests; androgens; insulins, oral
hypoglycenic agents; pharathyroid hormone - vitamin D.
- Vitamins: B-vitamins, ascorbic acid; vitamins A, E.
- General anesthetics; local anesthetics; hypnotics; antiepileptics; Parkinson´s disease;
opioid analgetics; NSAID´s; antitussive agents; antiemetic agents.
- Radiopharmaceuticals
Literature :
Goodman-Gilman, The Pharmacological Basis of Therapeutics;
Roth et al., Pharmaceutical Chemistry (both also available in English)
Topics :
Receptors (structures, signalling pathways, hormones, neurotransmitter, ligand receptor
interactions); drugs acting on the CNS (neuroleptics, antidepressants, anxiolytics,
hypnotics, antiepiletics), drugs affecting cholinergic mechanisms (cholinergics,
anticholinergics, AChE inhibitors etc.), drugs affecting adrenergic mechanisms (direct and
indirect sympathomimetics, antagonists), antihypertensives and drugs used for the
treatment of myocardial ischemia (alpha- and beta-adrenoceptor antagonists, other
sympatholytic agents, calcium channel antagonists, potassium channels activators, ACE
inhibitors, angiotensin II antagonists, renin inhibitors, organic nitrates, other vasodilators),
antiarrhythmics, positive inotropic drugs, diuretics, drugs used in the treatment of
hyperlipoproteinemias, histamine receptor agonists and antagonists, 5-hydroxytrypamine
receptor agonists and antagonists, antiulcer drugs, laxatives, antiasthmatics, anticancer
drugs, drugs used for immunomodulation.
Literature :
- Auterhoff/Knabe/Höltje, Lehrbuch der Pharmazeutischen Chemie
- Roth/Fenner, Pharmazeutische Chemie III
- Krogsgaard-Larsen/Bundgaard, A Textbook of Drug Design and Development
- Hartke/Hartke/Mutschler/Rücker/Wichtl: Arzneibuch-Kommentar (Deutsches und
Europäisches Arzneibuch)
- Mutschler, Arzneimittelwirkungen
- Löffler/Petrides, Biochemie und Pathobiochemie
no assessment
Special regulations for exchange students :
Complementary seminars for foreigners in English
Arrangements for earning course credit for partial fulfillment can be made with lecturers.
Computer-Aided Methods in Drug Research
(Computergestützte Methoden in der Arzneimittelforschung)
Lecture: 3 hours per week (winter semester)
ECTS credits: 3
Topics :
General strategies of computer-aided rationalization in drug design.
Quantitative structure-activity relationships (QSAR): Probability models of linear freeenergy relationships in biological and model systems; hydrophobic, electronic, and steric
effects and their description in molecules; demonstration at the PC of methods(Hansch
analysis, fragment regression, principal component analysis) and drug design examples
(hypnotics, ligand-protease binding, structure-hydrophobicity relationships, series design).
Molecular modeling: idealized and real models of ligand-receptor interactions, modeling
strategies in drug design (receptor mapping, docking); molecules "in computro", force
field methods; computer demonstrations with SYBYL (Tripos Ass.) at a SG Indigo2
workstation (conformational analysis, electrostatic potentials, search for active
conformations, template forcing, pharmacophore search, docking, volume comparisons,
3D QSAR approaches).
Literature :
- Scheler, Allgemeine Pharmakologie
- Böhm/Klebe/Kubinyi, Wirkstoffdesign
- Kubinyi, QSAR: Hansch Analysis and Related Approaches
- Höltje/Folkers, Molecular Modeling
- Franke, Theoretical Drug Design Methods
- Silverman, Medizinische Chemie
no assessment
Molecular Modeling
(Molecular Modeling)
Practical Course: 6 hours per week (summer semester)
ECTS credits: 6
Topics :
Introductional lectures: molecular modeling in chemistry, biochemistry and drug design,
idealized and real models of ligand-biomolecule interactions; modeling strategies and
software components; molecules "in computro"; molecular mechanics, Tripos force field,
energy minimization algorithms.
Computer exercises with SYBYL (Tripos Ass.) at 10 SG Indy workstations (1-2 students at
each Indy): small molecule sketching; energy calculation and minimization; working with
molecular spreadsheets and databases; conformational analysis, distance maps;
electrostatic potentials; pharmacophore search by active analog approaches, volume
comparisons; Monte Carlo and molecular dynamics simulations, simulated annealing;
biopolymer modeling (peptide sketching, secundary structure analysis, ligand-protein
docking); semiempirical quantum-chemical methods (MOPAC): analysis of molecular
orbitals; calculation of structure-property relationships (e.g., charges, aromaticity,
reactivity and reaction mechanism).
Literature :
- Böhm/Klebe/Kubinyi, Wirkstoffdesign
- Höltje/Folkers, Molecular Modeling
- Burkert/Allinger, Molecular Mechanics
- Leach, Molecular Modelling - Principles and Applications
- Cohen, Guidebook on Molecular Modeling in Drug Design
- Eliel/Wielen, Stereochemistry of Organic Compounds
Method of assessment : practical examination
Pharmaceutical Chemistry II (Methods of the
Pharmacopoeia)
(Pharmazeutische Chemie II (Arzneibuchuntersuchungen))
Practical Course: 16 hours per week (winter semester)
ECTS credits: 14
Topics :
Characteristic data of fats and oils
Drug monographies: menadione, acetylcysteine, metronidazole, pyridoxine, benzocaine,
phenobarbital,
phenylbutazone, theophyllin, tetracaine, paracetamole, sulfaguanidine, allopurinol,
chloroquine, niclosamide
Literature :
Europäisches Arzneibuch 1997
Kommentar zum Deutschen Arzneibuch 10
European Pharmacopoeia
Method of assessment : written examination
Pharmaceutical Chemistry III (Toxicology, Drug
Analysis)
(Pharmazeutische Chemie III (Toxikologie, Arzneimitteluntersuchung))
Practical Course: 20 hours per week (summer semester)
ECTS credits: 16
Topics :
The focal point of this course is the qualitative analysis of mixtures of pharmacologically
active compounds (approximately 250 molecules) and 23 supporting materials (carriers) .
The course is divided into four sections: a) identification of unknown (unmixed)
substances, b) analyses of combinations of up to 3 active compounds plus two carriers ,
and c) analyses of combinations of up to 5 compounds plus 3 carriers.
In sections a) and b), the carriers are varied. Thus, the students become familiar with the
analyses of solid, semi-solid, and liquid pharmaceuticas. In section c) only solid materials
are analysed.
In addition to chemical separation procedures (Stas-Otto separation, e.g.), mainly TLC and
IR-spectroscopy are used. - In toxicological analyses students have to isolate and identify
toxicologically relevant compounds in food. - Analyses are evaluated by a point system.
The practical part of the course has been finished successfully if 75% of the maximal sum
of points have been accomplished. - During the course there are three examinations: 1) a
written test at the beginning showing that the students have proper knowledge in organic
chemistry and in safety regulations necessary for the course; 2) an oral examination
following section b) , and 3) a written test at the end of the course comprising chemistry
and pharmacology of the drugs and of the chemistry of the carriers, being part of the
course, as well as of the contents of the corresponding lectures in pharmaceutical /
medicinal chemistry, and the knowledge offered in weekly seminars.
Seminars: a) given by the students; b) given by invited professors / lectures being experts
in special areas; c) concerning medicinal data banks.
Literature :
Klaus Müller, Toxikologie und Arzneimitteluntersuchungen, Einführung in das Praktikum
Pharmazeut. Chemie III (Regensburg University).
Method of assessment : written examination