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  1. Article ; Online: Cholinesterase Inhibitory and Anti-Inflammatory Activity of the Naphtho- and Thienobenzo-Triazole Photoproducts

    Milena Mlakić / Ivan Faraho / Ilijana Odak / Borislav Kovačević / Anamarija Raspudić / Ivana Šagud / Martina Bosnar / Irena Škorić / Danijela Barić

    International Journal of Molecular Sciences, Vol 24, Iss 14676, p

    Experimental and Computational Study

    2023  Volume 14676

    Abstract: New 1,2,3-triazolo(thieno)stilbenes were synthesized as mixtures of isomers and efficiently photochemically transformed to their corresponding substituted thienobenzo/naphtho-triazoles in high isolated yields. The resulting photoproducts were studied as ... ...

    Abstract New 1,2,3-triazolo(thieno)stilbenes were synthesized as mixtures of isomers and efficiently photochemically transformed to their corresponding substituted thienobenzo/naphtho-triazoles in high isolated yields. The resulting photoproducts were studied as acetyl- (AChE) and butyrylcholinesterase (BChE) inhibitors without or with interconnected inhibition potential of TNF-α cytokine production. The most promising anti-inflammatory activity was shown again by naphtho-triazoles, with a derivative featuring 4-pentenyl substituents exhibiting notable potential as a cholinesterase inhibitor. To identify interactions between ligands and the active site of cholinesterases, molecular docking was performed for the best potential inhibitors. Additionally, molecular dynamics simulations were employed to assess and validate the stability and flexibility of the protein–ligand complexes generated through docking.
    Keywords anti-inflammatory activity ; cholinesterase inhibition ; molecular docking ; molecular dynamics ; naphtho/thienobenzo-triazoles ; photochemical synthesis ; Biology (General) ; QH301-705.5 ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2023-09-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: Synthesis, Photochemistry, Computational Study and Potential Application of New Styryl-Thiophene and Naphtho-Thiophene Benzylamines

    Milena Mlakić / Ilijana Odak / Ivan Faraho / Martina Bosnar / Mihailo Banjanac / Zlata Lasić / Željko Marinić / Danijela Barić / Irena Škorić

    International Journal of Molecular Sciences, Vol 24, Iss 1, p

    2022  Volume 610

    Abstract: In this research, the synthesis, photochemistry, and computational study of new cis - and trans -isomers of amino-thienostilbenes is performed to test the efficiency of their production and acid resistance, and to investigate their electronic structure, ... ...

    Abstract In this research, the synthesis, photochemistry, and computational study of new cis - and trans -isomers of amino-thienostilbenes is performed to test the efficiency of their production and acid resistance, and to investigate their electronic structure, photoreactivity, photophysical characteristics, and potential biological activity. The electronic structure and conformations of synthesized thienostilbene amines and their photocyclization products are examined computationally, along with molecular modeling of amines possessing two thiophene rings that showed inhibitory potential toward cholinesterases. New amino-styryl thiophenes, with favorable photophysical properties and proven acid resistance, represent model compounds for their water-soluble ammonium salts as potential styryl optical dyes. The comparison with organic dyes possessing a trans -aminostilbene subunit as the scaffold shows that the newly synthesized trans -aminostilbenes have very similar absorbance wavelengths. Furthermore, their functionalized cis -isomers and photocyclization products are good candidates for cholinesterase inhibitors because of the structural similarity of the molecular skeleton to some already proven bioactive derivatives.
    Keywords acid resistance ; benzylamines ; DFT ; heterostilbenes ; molecular docking ; photocyclization ; Biology (General) ; QH301-705.5 ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2022-12-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

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    Inter-library loan at ZB MED

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  3. Article ; Online: Combination of Systemic Inflammatory Biomarkers in Assessment of Chronic Obstructive Pulmonary Disease

    Iva Hlapčić / Daniela Belamarić / Martina Bosnar / Domagoj Kifer / Andrea Vukić Dugac / Lada Rumora

    Diagnostics, Vol 10, Iss 1029, p

    Diagnostic Performance and Identification of Networks and Clusters

    2020  Volume 1029

    Abstract: Interleukin (IL)-1α, IL-1β, IL-6, IL-8 and tumor necrosis factor (TNF)α contribute to inflammation in chronic obstructive pulmonary disease (COPD). We wanted to investigate their interrelations and association with disease severity, as well as to combine ...

    Abstract Interleukin (IL)-1α, IL-1β, IL-6, IL-8 and tumor necrosis factor (TNF)α contribute to inflammation in chronic obstructive pulmonary disease (COPD). We wanted to investigate their interrelations and association with disease severity, as well as to combine them with other inflammation-associated biomarkers and evaluate their predictive value and potential in identifying various patterns of systemic inflammation. One hundred and nine patients with stable COPD and 95 age- and sex-matched controls were enrolled in the study. Cytokines’ concentrations were determined in plasma samples by antibody-based multiplex immunosorbent assay kits. Investigated cytokines were increased in COPD patients but were not associated with disease or symptoms severity. IL-1β, IL-6 and TNFα showed the best discriminative values regarding ongoing inflammation in COPD. Inflammatory patterns were observed in COPD patients when cytokines, C-reactive protein (CRP), fibrinogen (Fbg), extracellular adenosine triphosphate (eATP), extracellular heat shock protein 70 (eHsp70) and clinical data were included in cluster analysis. IL-1β, eATP and eHsp70 combined correctly classified 91% of cases. Therefore, due to the heterogeneity of COPD, its assessment could be improved by combination of biomarkers. Models including IL-1β, eATP and eHsp70 might identify COPD patients, while IL-1β, IL-6 and TNFα combined with CRP, Fbg, eATP and eHsp70 might be informative regarding various COPD clinical subgroups.
    Keywords chronic obstructive pulmonary disease ; cytokines ; systemic inflammation ; clusters ; adenosine triphosphate ; heat shock protein 70 ; Medicine (General) ; R5-920
    Subject code 610
    Language English
    Publishing date 2020-11-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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    Inter-library loan at ZB MED

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  4. Article ; Online: Unprecedented Epimerization of an Azithromycin Analogue

    Goran Kragol / Victoria A. Steadman / Zorica Marušić Ištuk / Ana Čikoš / Martina Bosnar / Dubravko Jelić / Gabrijela Ergović / Marija Trzun / Berislav Bošnjak / Ana Bokulić / Jasna Padovan / Ines Glojnarić / Vesna Eraković Haber

    Molecules, Vol 27, Iss 1034, p

    Synthesis, Structure and Biological Activity of 2′-Dehydroxy-5″-Epi-Azithromycin

    2022  Volume 1034

    Abstract: Certain macrolide antibiotics, azithromycin included, possess anti-inflammatory properties that are considered fundamental for their efficacy in the treatment of chronic inflammatory diseases, such as diffuse pan-bronchiolitis and cystic fibrosis. In ... ...

    Abstract Certain macrolide antibiotics, azithromycin included, possess anti-inflammatory properties that are considered fundamental for their efficacy in the treatment of chronic inflammatory diseases, such as diffuse pan-bronchiolitis and cystic fibrosis. In this study, we disclose a novel azithromycin analog obtained via Barton–McCombie oxidation during which an unprecedented epimerization on the cladinose sugar occurs. Its structure was thoroughly investigated using NMR spectroscopy and compared to the natural epimer, revealing how the change in configuration of one single stereocenter (out of 16) profoundly diminished the antimicrobial activity through spatial manipulation of ribosome binding epitopes. At the same time, the anti-inflammatory properties of parent macrolide were retained, as demonstrated by inhibition of LPS- and cigarette-smoke-induced pulmonary inflammation. Not surprisingly, the compound has promising developable properties including good oral bioavailability and a half-life that supports once-daily dosing. This novel anti-inflammatory candidate has significant potential to fill the gap in existing anti-inflammatory agents and broaden treatment possibilities.
    Keywords macrolides ; Barton–McCombie oxidation ; azithromycin ; anti-inflammatory activity ; Organic chemistry ; QD241-441
    Subject code 540
    Language English
    Publishing date 2022-02-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

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