POLPHARMA SA Pharmaceutical Works

Starogard Gdański, Poland

POLPHARMA SA Pharmaceutical Works

Starogard Gdański, Poland
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Stasiak J.,Nicolaus Copernicus University | Koba M.,Nicolaus Copernicus University | Bober L.,POLPHARMA SA Pharmaceutical Works | Kawczak P.,Medical University of Gdańsk | And 2 more authors.
Combinatorial Chemistry and High Throughput Screening | Year: 2013

The parameters of lipophilicity for three different groups of drugs (twelve analgesics drugs, eleven cardiovascular system drugs, and thirty six compounds characterized by divergent pharmacological activity) were experimentally determined by HPLC methods as well as calculated using various computer programs (HyperChem, ACD/Labs, ChemAxon, Dragon and VCCLab). The relationships between experimental (chromatographic) parameters of lipophilicity (log k and log kw) and the chemical structure of the studied compounds, and their comparison due to their lipophilic and hydrophilic character were presented. Moreover, the experimental and calculated values of parameters of lipophilicity were correlated and compared. Finally, both these groups of parameters of lipophilicity were analyzed using PCA or FA methods for the classification of studied compounds according to their chemical structures and pharmacological activity. © 2013 Bentham Science Publishers.


Koba M.,Nicolaus Copernicus University | Bober L.,POLPHARMA SA Pharmaceutical Works | Judycka-Proma U.,POLPHARMA SA Pharmaceutical Works | Baczek T.,Medical University of Gdańsk
Combinatorial Chemistry and High Throughput Screening | Year: 2010

The usage of principal component analysis (PCA) method in prediction of pharmacological classification of the drugs based on high-performance liquid chromatography (HPLC) retention data and on non-empirical structural parameters was studied. A group of 36 drugs of established pharmacological classification were chromatographed in ten carefully designed HPLC systems. Additionally, twelve structural descriptors were derived by molecular modeling studies based on the structural formula of considered drugs. A matrix of 36 x 22 HPLC data together with molecular properties parameters was subjected to chemometric analysis by PCA. Although that size of the training set could be sometimes disputable, the work remains as a demonstration of the basic methodology without the straight focus primarily intended as a report on a comprehensive predictive model. Nevertheless, the obtained clustering of drugs was in accordance with their pharmacological classification as well as chemical structures classification. The PCA method of the HPLC retention data and structural descriptors allowed to segregate drugs and drug candidates according to their pharmacological properties, and may be of potential help to limit the number of biological assays in the search for new drugs. © 2010 Bentham Science Publishers Ltd.


Stasiak J.,Nicolaus Copernicus University | Koba M.,Nicolaus Copernicus University | Bober L.,Polpharma SA Pharmaceutical Works | Baczek T.,Medical University of Gdańsk
International Journal of Molecular Sciences | Year: 2010

Evaluation of relationships between molecular modeling structural parameters and high-performance liquid chromatography (HPLC) retention data of 11 cardiovascular system drugs by principal component analysis (PCA) in relation to their pharmacological activity was performed. The six retention data parameters were determined on three different HPLC columns (Nucleosil C18 AB with octadecylsilica stationary phase, IAM PC C10/C3 with chemically bounded phosphatidylcholine, and Nucleosil 100-5 OH with chemically bounded propanodiole), and using isocratically acetonitrile: Britton-Robinson buffer as the mobile phase. Additionally, molecular modeling studies were performed with the use of HyperChem software and MM+ molecular mechanics with the semi-empirical AM1 method deriving 20 structural descriptors. Factor analysis obtained with the use of various sets of parameters: structural parameters, HPLC retention data, and all 26 considered parameters, led to the extraction of two main factors. The first principal component (factor 1) accounted for 44-57% of the variance in the data. The second principal component (factor 2) explained 29-33% of data variance. Moreover, the total data variance explained by the first two factors was at the level of 73-90%. More importantly, the PCA analysis of the HPLC retention data and structural parameters allows the segregation of circulatory system drugs according to their pharmacological (cardiovascular) properties as shown by the distribution of the individual drugs on the plane determined by the two principal components (factors 1 and 2). © 2010 by the authors.


Bober L.,POLPHARMA SA PharmaceuticalWorks | Koba M.,Nicolaus Copernicus University | Judycka-Proma U.,POLPHARMA SA PharmaceuticalWorks | Baczek T.,Medical University of Gdańsk
Journal of Chromatographic Science | Year: 2011

Pharmacological classification of drugs by principal component analysis (PCA) based on molecular modeling and high-performance liquid chromatography (HPLC) retention data is proposed. First, a group of 20 drugs of recognized pharmacological classification are chromatographed in eight diversified HPLC systems, applying columns with octadecylsilanes, phosphatidylcholine, as well as α1-glycoprotein and albumin. Additionally, molecular modeling studies, based on the structural formula of the drugs considered, are performed. Sixteen structural descriptors are derived. A matrix of 20 × 24 HPLC data together with molecular parameters are subjected to principal component analysis, and this revealed five main factors with eigenvalues higher than 1. The first principal component (factor 1) accounted for 47.8% of the variance in the data, and the second principal component (factor 2) explained 21.0% of data variance. The total data variance was 82.6% and is explained by the first three factors. The clustering of drugs is in accordance with their pharmacological classification, which proved that the PCA of the HPLC retention data, together with their structural descriptors, allowed the drugs to be segregated accurately to their pharmacological properties. This may be of help in reducing the number of biological assays needed in the development of a new drug.


Szulfer J.,Polpharma SA Pharmaceutical Works | Plenis A.,Medical University of Gdańsk | Baczek T.,Medical University of Gdańsk
Journal of Chromatography A | Year: 2014

This paper focuses on the application of a column classification system based on the Katholieke Universiteit Leuven for the characterization of physicochemical properties of core-shell and ultra-high performance liquid chromatographic stationary phases, followed by the verification of the reliability of the obtained column classification in pharmaceutical practice. In the study, 7 stationary phases produced in core-shell technology and 18 ultra-high performance liquid chromatographic columns were chromatographically tested, and ranking lists were built on the FKUL-values calculated against two selected reference columns. In the column performance test, an analysis of alfuzosin in the presence of related substances was carried out using the brands of the stationary phases with the highest ranking positions. Next, a system suitability test as described by the European Pharmacopoeia monograph was performed. Moreover, a study was also performed to achieve a purposeful shortening of the analysis time of the compounds of interest using the selected stationary phases. Finally, it was checked whether methods using core-shell and ultra-high performance liquid chromatographic columns can be an interesting alternative to the high-performance liquid chromatographic method for the analysis of alfuzosin in pharmaceutical practice. © 2014 Elsevier B.V.


Szulfer J.,Polpharma SA Pharmaceutical Works | Plenis A.,Medical University of Gdańsk | Baczek T.,Medical University of Gdańsk
Journal of Chromatography A | Year: 2012

The popularity and commercial availability of reversed-phase liquid chromatographic (RP-LC) stationary phases cause analysts to be often confronted with the problem of column selection. For this reason, general test methods to characterize RP-LC columns have been extensively studied since the 1970s. This paper focuses on correlating the column classification based on a method developed at the Katholieke Universiteit Leuven (KUL method) with the selectivity obtained for a real separation. The analysis of alfuzosin hydrochloride and related compounds was carried out according to the method prescribed in the European Pharmacopoeia (Ph. Eur.) monograph. This separation was performed on 36 new RP-LC stationary phases which had been previously characterized chromatographically. For deeper comparative analysis of KUL classification of the stationary RP-LC brands and their column performance in pharmaceutical practice two chemometric tools, such as principal component analysis (PCA) and cluster analysis (CA), have been used. It was shown that stationary phase classes closely related by KUL method gave comparable separation for alfuzosin and related compounds. Therefore, the column ranking system based on the evaluation of F-values can be considered as a helpful tool in the selection of a suitable column for pharmaceutical analyses. © 2012 Elsevier B.V.


Kawczak P.,Medical University of Gdańsk | Bober L.,POLPHARMA SA Pharmaceutical Works | Baczek T.,Medical University of Gdańsk | Baczek T.,Pomeranian University
Medicinal Chemistry Research | Year: 2015

Thirty-three compounds belonging to the sympatholytics and sympathomimetics were analyzed during the study. The biological activity data for the parameters of binding affinity to the α1- and α2-adrenergic receptors together with parameters of the logarithm of the partition coefficient n-octanol/water (log P) were performed using a semi-empirical calculations methods for isolated molecules (in vacuo) and for the molecules placed in an aqueous environment. Additionally, the chromatographic retention data were used as extra dependent variables of the structural parameters for a part of the considered compounds. Finally, all those groups of parameters were analyzed using MLR, PCA, and FA methods for the classification of studied compounds according to their chemical structures and pharmacological activity to the adrenoceptors. © 2014 The Author(s).


Szulfer J.,Polpharma SA Pharmaceutical Works | Plenis A.,Medical University of Gdańsk | Baczek T.,Medical University of Gdańsk
Talanta | Year: 2012

In this paper a comparative study of RP-LC column selectivity as obtained by the classification method of the Katholieke Universiteit Leuven (KUL method) and the selectivity obtained in real pharmaceutical analysis is reported. The separation of caffeine and its respective impurities was performed on 35 brands of stationary phases in accordance with the method prescribed in the European Pharmacopoeia (Ph. Eur.). Evaluation concerned the probability of appropriate column selection related to the selection of two different stationary phases for reference. The comparison was based on the traditional correlation of the F-values with the results of a system suitability test (SST) for the columns, as well as an application of a factor analysis (FA) for graphical visualisation of the differences and similarities between the stationary phases established against four test chromatographic parameters provided by the KUL method and the retention parameters of the compounds of interest describing the column performance test. The obtained results confirmed that the class of the stationary phases selected according to the chromatographic test parameters gave comparable separation for caffeine and its impurities. © 2012 Elsevier B.V.


Bober L.,POLPHARMA SA Pharmaceutical Works | Kawczak P.,Medical University of Gdańsk | Baczek T.,Medical University of Gdańsk | Baczek T.,Pomeranian University
International Journal of Molecular Sciences | Year: 2012

Pharmacological and physicochemical classification of the furan and thiophene amide derivatives by multiple regression analysis and partial least square (PLS) based on semi-empirical ab initio molecular modeling studies and high-performance liquid chromatography (HPLC) retention data is proposed. Structural parameters obtained from the PCM (Polarizable Continuum Model) method and the literature values of biological activity (antiproliferative for the A431 cells) expressed as LD50 of the examined furan and thiophene derivatives was used to search for relationships. It was tested how variable molecular modeling conditions considered together, with or without HPLC retention data, allow evaluation of the structural recognition of furan and thiophene derivatives with respect to their pharmacological properties. © 2012 by the authors; licensee MDPI, Basel, Switzerland.


PubMed | Medical University of Gdańsk and Polpharma SA Pharmaceutical Works
Type: | Journal: The Journal of pharmacy and pharmacology | Year: 2016

The aim was to develop prolonged-release minitablets (MT) with carbamazepine (CBZ).Matrix-type 3-mm MT (5 mg CBZ) were prepared by direct compression using hydrophilic (hypromellose) or hydrophobic polymers (ethylcellulose, Kollidon SR, glyceryl behenate). Coated prolonged-release MT (2.5 mm/3 mg of CBZ) were produced using ethylcellulose or Eudragit RL/RS. The release tests were performed in a basket apparatus with water or 1% sodium lauryl sulphate solution as dissolution media.High-viscosity hypromellose used as a matrix polymer resulted in slow release of CBZ (80% released during 12 h). Dissolution was slower from hydrophobic matrices. Non-swelling MT cores were successfully coated with Eudragit RL/RS, which resulted in the prolonged release of CBZ (80%/14 h), depending on the film thickness and Eudragit composition. Careful choice of pore formers in the coating film allowed to reduce lag time. Ethylcellulose was unsuitable as coating polymer due to low permeability to CBZ and unsatisfying mechanical resistance of the films modified with hypromellose.Prolonged release of CBZ was obtained from both matrix-type and coated MT. Further development of MT as a single unit or multicompartment prolonged-release new dosage form especially suitable for children has been justified.

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