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Department of Biopharmaceutics and PharmacodynamicsFaculty of Pharmacy, Medical University of Gdańsk
Head: Prof. Roman Kaliszan, Ph.D., D.Sc.Corresponding Member of the Polish Academy of Sciences
Prof. Antoni Nasal, Ph.D., Barbara Damasiewicz, Ph.D., Michał Markuszewski, Ph.D., Aleksandra Radwańska, Ph.D., Danuta Siluk, Ph.D., Tomasz Bączek, Ph.D., Teresa Frąckowiak, Ph.D., Anna Wojdełko, M.Sc., Michał Marszałł, M.Sc.,
Paweł Wiczling, M.Sc., Aleksandra Dąbrowska, Ing., Janina Kozłów
Address: Gen. J. Hallera 107, 80-416 Gdańsk
Tel.: ++48 58 3493260
Fax: ++48 58 3493262
e-mail: [email protected]
Wydział Chemii Uniwersytetu Gdańskiego
Instytut Farmaceutyczny w Warszawie
Instytut Leków w Warszawie
Zakład Chemii Środowiska Wydziału Chemii Uniwersytetu Mikołaja Kopernika w Toruniu
Instytut Rozrodu Zwierząt i Badań Żywności PAN w Olsztynie
Department of Chemistry, University of Edinburgh
Institute of Pharmaceutical Chemistry, Johann Wolfgang Goethe University, Frankfurt am Main
Forschungsinstitut für experimentelle Biologie und Medizin, Borstel
Department of Chemistry, Rutgers University, New Brunswick
Department of Oncology, McGill University, Montreal
Department of Chemistry, State University of New York in Binghamton
Institut für Organische Chemie, Abteilung Bioorganische Chemie, Universität Bremen
Department of Chemistry, University College London, London
Central Research Institute for Chemistry, Hungarian Academy of Sciences, Budapest
Laboratory of Instrumental Analysis, University of Technology, Eindhoven
LC Resources Inc., Walnut Creek, CA, USA
School of Materials Science, Toyohashi University of Technology,
Department of Polymer Science and Engineering, Kyoto Institute of Technology
Faculty of Science, Himeji Institute of Technology
COLLABORATORS
PUBLICATION RECORDS
Books 10Review Articles 14Original Reports 160Full Papers in Symposium Proceedings 30Patents 6Symposium Abstracts 210Published book reviews, popularization of science, etc. 50
Σ 480
Σ IF>250Total number of citations 3.000
MEMBERSHIP OFEDITORIAL (ADVISORY) BOARDS
- Solubility Data Series (1985 - 1992)- Quantitative Structure-Activity Relationships (1988 - 1997)
-Biomedical Chromatography (since 1998)- Journal of Chromatographic Science (since 2000)
- Journal of Separation Science (since 2001) - Journal of Pharmaceutical and Biomedical Analysis (since 2001)
- Acta Chromatographica (since 1995)-Acta Poloniae Pharmaceutica - Drug Research (since 1997)
- Annales Universitatis Mariae Curie-Skłodowska -Annales Academiae Medicae Gedanensis
-Farmacja Polska- Gazeta AMG
- Służba Zdrowia- Wiadomości Farmaceutyczne
About 400 reviews of manuscripts presented to some 30 international journals
CHOICE OF STRUCTURE
H
H
H
H
H
H
H
COOH
Example: S = 20; N = 8
X = SN = X = 208 = 25 600 000 000
N - number of substitution sites S - number of substituents
CA describes 12 000 000 compounds
Numerical descriptors of solute structures
Chromatographic retention parameters
Computerized statistical data processing
QSRR
Identification of informative descriptors
Determination of molecular separation
mechanism
Quantitative comparison of
columns
Retention prediction
Determination of complex physicochemical properties
Evaluation of relative biological activity
OOOOOOOOOOOOOOO
OOOOOOOOOOOOOOO
WATERI
pH1
Drug molecules I:
neutral I + ionized I
WATERII
pH1I
Drug molecules II:
neutral II + ionized II
Example:
Kanamycin: pKa = 7.2
Milk: pHI = 6.4
Blood: pHII = 7.4
Lipid
Drug:Water/lipid partition (log P, log kw);
Degree of ionization (pKa)
[Drug in milk]
[Drug in blood]
[1 +10 ]
[1 +10 ]
pK pH
pK pH
a milk
a blood
4 5.
IMMOBILIZED ARTIFICIAL MEMBRANES
Structure of cell membrane
Hydrophobic region
Hydrophilic region
IAM.PC.(ether)IAM.PC.DD.IAM.PC.(ester)
SILICA SUPPORT
HNC O
NC O
HNC O
NC O
HNC O
HNC O
SILICA SUPPORTSILICA SUPPORT
H2NH2NOC
N
CO
OO
CO
OP O-
OO
N+H3C
H3CH3C
OP O-
OO
N+H3C
H3CH3C
OO
P O-O
O
N+H3C
H3CH3C
OCH3
CHROMATOGRAPHIC MODELING OF DRUG-PROTEIN INTERACTIONS (HSA, AGP, Melanin, Keratin, Collagen)
STERIC RESTRICTION
HYDROPHOBIC REGIONHYDROPHOBIC REGION
+
⊝⊝⊝ANIONIC REGION
FUTURE PROJECTS AND GOALS
- pH-Gradient HPLC: a new method of chromatographic analysis of
bioanalytes
- Metabolomics: metabolite profile differentiation using LC/CE/MS
and bioinformatics
-Analytical separation-identification platform LC-MC for the analysis
of proteomes
- Relationship between the GPIIIa gene A1/A2 polymorphism and
blood platelet response to aggregation agonists among the North
Poland population
SELECTED RECENT PUBLICATIONS•R. Kaliszan: "Quantitative Structure-Retention Relationships (QSRR) in Chromatography", In Encyclopedia of Separation Science, Vol III, I.D. Wilson (Ed.), Academic Press, San Diego, 2000, pp. 4063-4075 •D. Siluk, R. Kaliszan, P. Haber, J. Petrusewicz, Z. Brzozowski, G. Sut, Antiaggregatory activity of hypoglycaemic sulphonylureas, Diabetologia 45, 1034-1037 (2002) •R. Kaliszan, P. Haber, T. Bączek, D. Siluk, K. Valko, Lipophilicity and pKa estimates from
gradient high-performance liquid chromatography, J. Chromatogr. A 965, 117-127 (2002) •M. Markuszewski, R. Kaliszan, Quantitative structure-retention relationships in affinity high-performance liquid chromatography, J. Chromatogr. B 768, 55-66 (2002) •A. Nasal, D. Siluk, R. Kaliszan, Chromatographic retention parameters in medicinal chemistry and molecular pharmacology, Curr. Med. Chem. 10, 381-426 (2003)
•M.J. Markuszewski, P. Britz-McKibbin, S. Terabe, K. Matsuda, T. Nishioka, Determination of pyridine and adenine nucleotide metabolites in Bacillus subtilis cell extract by sweeping borate complexation capillary electrophoresis, J. Chromatogr. A 989, 293-301 (2003)
•T. Bączek, R. Kaliszan, Predictive approaches to gradient retention based on analyte structural descriptors from calculation chemistry, J. Chromatogr. A 987, 29-37 (2003)