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  1. Article: Comprehensive Ontology of Fibroproliferative Diseases: Protocol for a Semantic Technology Study.

    Golec, Marcin / Kamdar, Maulik / Barteit, Sandra

    JMIR research protocols

    2023  Volume 12, Page(s) e48645

    Abstract: Background: Fibroproliferative or fibrotic diseases (FDs), which represent a significant proportion of age-related pathologies and account for over 40% of mortality in developed nations, are often underrepresented in focused research. Typically, these ... ...

    Abstract Background: Fibroproliferative or fibrotic diseases (FDs), which represent a significant proportion of age-related pathologies and account for over 40% of mortality in developed nations, are often underrepresented in focused research. Typically, these conditions are studied individually, such as chronic obstructive pulmonary disease or idiopathic pulmonary fibrosis (IPF), rather than as a collective entity, thereby limiting the holistic understanding and development of effective treatments. To address this, we propose creating and publicizing a comprehensive fibroproliferative disease ontology (FDO) to unify the understanding of FDs.
    Objective: This paper aims to delineate the study protocol for the creation of the FDO, foster transparency and high quality standards during its development, and subsequently promote its use once it becomes publicly available.
    Methods: We aim to establish an ontology encapsulating the broad spectrum of FDs, constructed in the Web Ontology Language format using the Protégé ontology editor, adhering to ontology development life cycle principles. The modeling process will leverage Protégé in accordance with a methodologically defined process, involving targeted scoping reviews of MEDLINE and PubMed information, expert knowledge, and an ontology development process. A hybrid top-down and bottom-up strategy will guide the identification of core concepts and relations, conducted by a team of domain experts based on systematic iterations of scientific literature reviews.
    Results: The result will be an exhaustive FDO accommodating a wide variety of crucial biomedical concepts, augmented with synonyms, definitions, and references. The FDO aims to encapsulate diverse perspectives on the FD domain, including those of clinicians, health informaticians, medical researchers, and public health experts.
    Conclusions: The FDO is expected to stimulate broader and more in-depth FD research by enabling reasoning, inference, and the identification of relationships between concepts for application in multiple contexts, such as developing specialized software, fostering research communities, and enhancing domain comprehension. A common vocabulary and understanding of relationships among medical professionals could potentially expedite scientific progress and the discovery of innovative solutions. The publicly available FDO will form the foundation for future research, technological advancements, and public health initiatives.
    International registered report identifier (irrid): PRR1-10.2196/48645.
    Language English
    Publishing date 2023-08-11
    Publishing country Canada
    Document type Journal Article
    ZDB-ID 2719222-2
    ISSN 1929-0748
    ISSN 1929-0748
    DOI 10.2196/48645
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: MARSplines Approach for Quantitative Relationships between Structure and Pharmacological Activity of Potential Drug Candidates

    Marcin Gackowski / Karolina Szewczyk-Golec / Marcin Koba

    Medical Sciences Forum, Vol 14, Iss 91, p

    2022  Volume 91

    Abstract: A multivariate adaptive regression splines (MARSplines) approach was applied to the quantitative structure–activity relationship studies of antitumor activity against murine leukemia L1210 of anthrapyrazoles, as well as activated coagulation factor X ( ... ...

    Abstract A multivariate adaptive regression splines (MARSplines) approach was applied to the quantitative structure–activity relationship studies of antitumor activity against murine leukemia L1210 of anthrapyrazoles, as well as activated coagulation factor X (FXa) inhibitory activity of isosteviol analogues. These two different sets of molecules in the first stage underwent molecular modelling studies, i.e., geometrical optimization via the MM+ and the AM1 method using the Polak–Ribiere algorithm, and finally, about 5000 molecular descriptors encoding structural features were calculated. Afterwards, statistical analysis using the MARSplines algorithm was performed, which led to the establishment of a portfolio of submodels. As a result, the statistically significant MARS model that best describes quantitative structure–activity relationships for each set of the studied compounds was chosen. Elaborated models reveal which molecular properties have the greatest impact on the pharmacological activity of anthrapyrazole and isosteviol compounds. Among the independent variables appearing in the statistically significant MARS models, descriptors belonging to 2D Atom Pairs, 2D autocorrelations, 3D-MoRSE, GETAWAY, burden eigenvalues, RDF, and WHIM descriptors may be distinguished. The studies confirmed the benefit of using the MARSplines algorithm, the since high predictive power of the obtained models makes them useful for the prediction of antitumor and FXa inhibitory activity, and this approach can possibly be considered as a tool for searching for new drug candidates.
    Keywords anthrapyrazole derivatives ; cancer ; diabetes ; FXa inhibitors ; isosteviol derivatives ; multivariate adaptive regressions splines ; Medicine ; R
    Subject code 540
    Language English
    Publishing date 2022-11-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: The effect of sulfur baths on hemorheological properties of blood in patients with osteoarthritis.

    Teległów, Aneta / Seremak, Joanna / Golec, Joanna / Marchewka, Jakub / Golec, Piotr / Marchewka, Urszula / Maciejczyk, Marcin / Golec, Edward

    Scientific reports

    2023  Volume 13, Issue 1, Page(s) 7960

    Abstract: Balneotherapy is an effective treatment method in various diseases and commonly used treatment modality among patients with musculoskeletal disorders. Sulfur baths are known for healing properties however effect on rheological properties is unstudied. ... ...

    Abstract Balneotherapy is an effective treatment method in various diseases and commonly used treatment modality among patients with musculoskeletal disorders. Sulfur baths are known for healing properties however effect on rheological properties is unstudied. Thus the aim of our study was to determine the effect of sulfur balneotherapy on hemorheological blood indices. A total of 48 patients with osteoarthritis were enrolled to the study. Blood samples were collected twice, before and after 3-week time period. We evaluated complete blood count, fibrinogen, hs-CRP and blood rheology parameters such as elongation index (EI), half-time of total aggregation (T
    MeSH term(s) Humans ; Middle Aged ; Aged ; Hemorheology ; Baths ; C-Reactive Protein/pharmacology ; Erythrocyte Deformability ; Blood Viscosity ; Osteoarthritis/therapy ; Fibrinogen/analysis ; Sulfur/pharmacology ; Erythrocyte Aggregation
    Chemical Substances C-Reactive Protein (9007-41-4) ; Fibrinogen (9001-32-5) ; Sulfur (70FD1KFU70)
    Language English
    Publishing date 2023-05-17
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-023-35264-8
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Nickel ions influence the transepithelial sodium transport in the trachea, intestine and skin.

    Hołyńska-Iwan, Iga / Sobiesiak, Marta / Kowalczyk, Wojciech / Wróblewski, Marcin / Cwynar, Anna / Szewczyk-Golec, Karolina

    Scientific reports

    2023  Volume 13, Issue 1, Page(s) 6931

    Abstract: Measurements of transepithelial potential and resistance in tissue and organ model systems enable the evaluation of the ... ...

    Abstract Measurements of transepithelial potential and resistance in tissue and organ model systems enable the evaluation of the Ni
    MeSH term(s) Trachea/metabolism ; Nickel/pharmacology ; Nickel/metabolism ; Sodium/metabolism ; Ion Transport ; Intestines ; Ions/metabolism
    Chemical Substances Nickel (7OV03QG267) ; Sodium (9NEZ333N27) ; Ions
    Language English
    Publishing date 2023-04-28
    Publishing country England
    Document type Journal Article
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-023-33690-2
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Antitumor Activity of Anthrapyrazole Derivatives.

    Gackowski, Marcin / Szewczyk-Golec, Karolina / Pluskota, Robert / Koba, Marcin / Mądra-Gackowska, Katarzyna / Woźniak, Alina

    International journal of molecular sciences

    2022  Volume 23, Issue 9

    Abstract: An approach using multivariate adaptive regression splines (MARSplines) was applied for quantitative structure-activity relationship studies of the antitumor activity of anthrapyrazoles. At the first stage, the structures of anthrapyrazole derivatives ... ...

    Abstract An approach using multivariate adaptive regression splines (MARSplines) was applied for quantitative structure-activity relationship studies of the antitumor activity of anthrapyrazoles. At the first stage, the structures of anthrapyrazole derivatives were subjected to geometrical optimization by the AM1 method using the Polak-Ribiere algorithm. In the next step, a data set of 73 compounds was coded over 2500 calculated molecular descriptors. It was shown that fourteen independent variables appearing in the statistically significant MARS model (i.e., descriptors belonging to 3D-MoRSE, 2D autocorrelations, GETAWAY, burden eigenvalues and RDF descriptors), significantly affect the antitumor activity of anthrapyrazole compounds. The study confirmed the benefit of using a modern machine learning algorithm, since the high predictive power of the obtained model had proven to be useful for the prediction of antitumor activity against murine leukemia L1210. It could certainly be considered as a tool for predicting activity against other cancer cell lines.
    MeSH term(s) Algorithms ; Animals ; Anthracyclines ; Mice ; Neoplasms ; Quantitative Structure-Activity Relationship
    Chemical Substances Anthracyclines ; anthrapyrazole (91440-30-1)
    Language English
    Publishing date 2022-05-04
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2019364-6
    ISSN 1422-0067 ; 1422-0067 ; 1661-6596
    ISSN (online) 1422-0067
    ISSN 1422-0067 ; 1661-6596
    DOI 10.3390/ijms23095132
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: Evaluation of Selected Parameters of Oxidative Stress and Adipokine Levels in Hospitalized Older Patients with Diverse Nutritional Status.

    Mądra-Gackowska, Katarzyna / Szewczyk-Golec, Karolina / Gackowski, Marcin / Woźniak, Alina / Kędziora-Kornatowska, Kornelia

    Antioxidants (Basel, Switzerland)

    2023  Volume 12, Issue 3

    Abstract: Malnutrition is classified as one of the Giant Geriatric Syndromes. It carries serious consequences, such as sarcopenia or depression, which lead to functional disability. The main objective of this study was to identify parameters of oxidative stress ... ...

    Abstract Malnutrition is classified as one of the Giant Geriatric Syndromes. It carries serious consequences, such as sarcopenia or depression, which lead to functional disability. The main objective of this study was to identify parameters of oxidative stress and adipokines, which may be potential biomarkers of malnutrition in hospitalized older patients. During the study, selected parameters were determined in 137 senile patients, taking into account their nutritional status determined according to the Mini Nutritional Assessment (MNA), as well as an additional tool, namely the Geriatric Nutritional Risk Index (GNRI). Leptin and resistin were determined as the parameters with statistically significant differences between the patients classified according to the MNA. This phenomenon was confirmed using the GNRI classification. However, additional parameters for which differences were observed include the oxidized low-density lipoprotein level and activity of glutathione peroxidase. In conclusion, the determination of the mentioned markers in hospitalized senile patients as an adjunct to the routine assessment of nutritional status might be suggested to identify the early risk of malnutrition so that a personalized nutritional therapy can be implemented as early as possible.
    Language English
    Publishing date 2023-02-24
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2704216-9
    ISSN 2076-3921
    ISSN 2076-3921
    DOI 10.3390/antiox12030569
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Quantitative Structure-Activity Relationship Analysis of Isosteviol-Related Compounds as Activated Coagulation Factor X (FXa) Inhibitors.

    Gackowski, Marcin / Szewczyk-Golec, Karolina / Mądra-Gackowska, Katarzyna / Pluskota, Robert / Koba, Marcin

    Nutrients

    2022  Volume 14, Issue 17

    Abstract: Stevioside, one of the natural sweeteners extracted from stevia leaves, and its derivatives are considered to have numerous beneficial pharmacological properties, including the inhibition of activated coagulation factor X (FXa). FXa-PAR signaling is a ... ...

    Abstract Stevioside, one of the natural sweeteners extracted from stevia leaves, and its derivatives are considered to have numerous beneficial pharmacological properties, including the inhibition of activated coagulation factor X (FXa). FXa-PAR signaling is a possible therapeutic target to enhance impaired metabolism and insulin resistance in obesity. Thus, the goal of the investigation was a QSAR analysis using multivariate adaptive regression splines (MARSplines) applied to a data set of 20 isosteviol derivatives bearing thiourea fragments with possible FXa inhibitory action. The best MARS submodel described a strong correlation between FXa inhibitory activity and molecular descriptors, such as: B01[C-Cl], E2m, L3v, Mor06i, RDF070i and HATS7s. Five out of six descriptors included in the model are geometrical descriptors quantifying three-dimensional aspects of molecular structure, which indicates that the molecular three-dimensional conformation is of high significance for the MARSplines modeling procedure and obviously for FXa inhibitory activity. High model performance was confirmed through an extensive validation protocol. The results of the study not only confirmed the enhancement in pharmacological activity by the presence of chlorine in a phenyl ring, but also, and primarily, may provide the basis for searching for new active isosteviol analogues, which may serve as drugs or health-beneficial food additives in patients suffering from obesity and comorbidities.
    MeSH term(s) Diterpenes, Kaurane ; Factor X ; Humans ; Molecular Structure ; Obesity ; Quantitative Structure-Activity Relationship ; Structure-Activity Relationship
    Chemical Substances Diterpenes, Kaurane ; isosteviol (091QB7QO95) ; Factor X (9001-29-0)
    Language English
    Publishing date 2022-08-26
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2518386-2
    ISSN 2072-6643 ; 2072-6643
    ISSN (online) 2072-6643
    ISSN 2072-6643
    DOI 10.3390/nu14173521
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Antitumor Activity of Anthrapyrazole Derivatives

    Marcin Gackowski / Karolina Szewczyk-Golec / Robert Pluskota / Marcin Koba / Katarzyna Mądra-Gackowska / Alina Woźniak

    International Journal of Molecular Sciences, Vol 23, Iss 5132, p

    2022  Volume 5132

    Abstract: An approach using multivariate adaptive regression splines (MARSplines) was applied for quantitative structure–activity relationship studies of the antitumor activity of anthrapyrazoles. At the first stage, the structures of anthrapyrazole derivatives ... ...

    Abstract An approach using multivariate adaptive regression splines (MARSplines) was applied for quantitative structure–activity relationship studies of the antitumor activity of anthrapyrazoles. At the first stage, the structures of anthrapyrazole derivatives were subjected to geometrical optimization by the AM1 method using the Polak–Ribiere algorithm. In the next step, a data set of 73 compounds was coded over 2500 calculated molecular descriptors. It was shown that fourteen independent variables appearing in the statistically significant MARS model (i.e., descriptors belonging to 3D-MoRSE, 2D autocorrelations, GETAWAY, burden eigenvalues and RDF descriptors), significantly affect the antitumor activity of anthrapyrazole compounds. The study confirmed the benefit of using a modern machine learning algorithm, since the high predictive power of the obtained model had proven to be useful for the prediction of antitumor activity against murine leukemia L1210. It could certainly be considered as a tool for predicting activity against other cancer cell lines.
    Keywords anthrapyrazoles ; antitumor activity ; multivariate adaptive regressions splines ; quantitative structure-activity relationships (QSAR) ; Biology (General) ; QH301-705.5 ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2022-05-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  9. Article: Quantitative Structure–Activity Relationship Analysis of Isosteviol-Related Compounds as Activated Coagulation Factor X (FXa) Inhibitors

    Gackowski, Marcin / Szewczyk-Golec, Karolina / Mądra-Gackowska, Katarzyna / Pluskota, Robert / Koba, Marcin

    Nutrients. 2022 Aug. 26, v. 14, no. 17

    2022  

    Abstract: Stevioside, one of the natural sweeteners extracted from stevia leaves, and its derivatives are considered to have numerous beneficial pharmacological properties, including the inhibition of activated coagulation factor X (FXa). FXa-PAR signaling is a ... ...

    Abstract Stevioside, one of the natural sweeteners extracted from stevia leaves, and its derivatives are considered to have numerous beneficial pharmacological properties, including the inhibition of activated coagulation factor X (FXa). FXa-PAR signaling is a possible therapeutic target to enhance impaired metabolism and insulin resistance in obesity. Thus, the goal of the investigation was a QSAR analysis using multivariate adaptive regression splines (MARSplines) applied to a data set of 20 isosteviol derivatives bearing thiourea fragments with possible FXa inhibitory action. The best MARS submodel described a strong correlation between FXa inhibitory activity and molecular descriptors, such as: B01[C-Cl], E2m, L3v, Mor06i, RDF070i and HATS7s. Five out of six descriptors included in the model are geometrical descriptors quantifying three-dimensional aspects of molecular structure, which indicates that the molecular three-dimensional conformation is of high significance for the MARSplines modeling procedure and obviously for FXa inhibitory activity. High model performance was confirmed through an extensive validation protocol. The results of the study not only confirmed the enhancement in pharmacological activity by the presence of chlorine in a phenyl ring, but also, and primarily, may provide the basis for searching for new active isosteviol analogues, which may serve as drugs or health-beneficial food additives in patients suffering from obesity and comorbidities.
    Keywords chlorine ; coagulation ; data collection ; insulin resistance ; medicinal properties ; metabolism ; model validation ; models ; obesity ; quantitative structure-activity relationships ; stevioside ; therapeutics ; thiourea
    Language English
    Dates of publication 2022-0826
    Publishing place Multidisciplinary Digital Publishing Institute
    Document type Article
    ZDB-ID 2518386-2
    ISSN 2072-6643
    ISSN 2072-6643
    DOI 10.3390/nu14173521
    Database NAL-Catalogue (AGRICOLA)

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  10. Article ; Online: Cathelicidin Treatment Silences Epithelial-Mesenchymal Transition Involved in Pulmonary Fibrosis in a Murine Model of Hypersensitivity Pneumonitis.

    Lemieszek, Marta Kinga / Golec, Marcin / Zwoliński, Jacek / Dutkiewicz, Jacek / Milanowski, Janusz

    International journal of molecular sciences

    2022  Volume 23, Issue 21

    Abstract: Pulmonary fibrosis is becoming an increasingly common pathology worldwide. Unfortunately, this disorder is characterized by a bad prognosis: no treatment is known, and the survival rate is dramatically low. One of the most frequent reasons for pulmonary ... ...

    Abstract Pulmonary fibrosis is becoming an increasingly common pathology worldwide. Unfortunately, this disorder is characterized by a bad prognosis: no treatment is known, and the survival rate is dramatically low. One of the most frequent reasons for pulmonary fibrosis is hypersensitivity pneumonitis (HP). As the main mechanism of pulmonary fibrosis is a pathology of the repair of wounded pulmonary epithelium with a pivotal role in epithelial-mesenchymal transition (EMT), we assumed that EMT silencing could prevent disease development. Because of several biological features including wound healing promotion, an ideal candidate for use in the treatment of pulmonary fibrosis seems to be cathelicidin. The aim of the studies was to understand the influence of cathelicidin on the EMT process occurring during lung fibrosis development in the course of HP. Cathelicidin's impact on EMT was examined in a murine model of HP, wherein lung fibrosis was induced by chronic exposure to extract of
    MeSH term(s) Mice ; Animals ; Pulmonary Fibrosis/pathology ; Epithelial-Mesenchymal Transition/physiology ; Disease Models, Animal ; Alveolitis, Extrinsic Allergic/pathology ; Lung/pathology
    Language English
    Publishing date 2022-10-27
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2019364-6
    ISSN 1422-0067 ; 1422-0067 ; 1661-6596
    ISSN (online) 1422-0067
    ISSN 1422-0067 ; 1661-6596
    DOI 10.3390/ijms232113039
    Database MEDical Literature Analysis and Retrieval System OnLINE

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