1. Nano spray-dried particles of in-situ crosslinked alginate and their toxicological characterisationJaka Levanič, Ilja Gasan Osojnik Črnivec, Iza Rozman, Mihaela Skrt, Alja Štern, Bojana Žegura, Nataša Poklar Ulrih, 2024, izvirni znanstveni članek Povzetek: The feasibility and technical capacity for producing crosslinked sub-micron gels with a nano spray-dryer were studied with variable pH systems incorporating alginate, pectin, and pullulan. The obtained powders were characterized for their morphology, particle size distribution, and their toxicological safety profile using genotoxicity and cytotoxicity assays. Additionally, quercetin was added to the encapsulation system to study the potential of the system to encapsulate this material. The produced powders exhibited morphologies and particle size distributions characteristic for nano spray-drying. The addition of pullulan and pectin to the feed solutions resulted in a particle size increase, with crosslinked alginate particles having a mean value of 1.43 μm, while particles with added pectin and pullulan had a mean particle size of 1.70 and 1.75 μm, respectively. The inclusion of quercetin proved to be problematic with this encapsulation system. Extremely high degradation rates and extremely low encapsulation efficiencies were observed due to the alkaline pH (~10) of the system that is needed to keep the feed dispersion in a liquid state and prevent premature crosslinking of the alginate. Although pectin and pullulan provided some protection for quercetin in the alkaline dispersion, the absolute quercetin content in the final product remained very low, with a maximum achieved encapsulation efficiency of 2.06 %. The safety profile of most produced powders was favourable, as they did not exhibit any significant cytotoxic and genotoxic activity in the HepG2 cell line, except in the case of Alginate/Pullulan which showed a 43 % decrease in cell viability at 500 μg/mL. Samples where quercetin was added did not show any increased toxicological effect.
Ključne besede: alginate, polysaccharides, crosslinking, nano spray drying, toxicological evaluation
Objavljeno v DiRROS: 08.05.2025; Ogledov: 225; Prenosov: 124
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2. Identification of triazolopyrimidinyl scaffold SARS-CoV-2 papain-like protease (PLpro) inhibitorSebastjan Kralj, Marko Jukič, Miha Bahun, Luka Kranjc, Anja Kolarič, Milan Hodošček, Nataša Poklar Ulrih, Urban Bren, 2024, izvirni znanstveni članek Povzetek: The global impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and its companion disease, COVID-19, has reminded us of the importance of basic coronaviral research. In this study, a comprehensive approach using molecular docking, in vitro assays, and molecular dynamics simulations was applied to identify potential inhibitors for SARS-CoV-2 papain-like protease (PLpro), a key and underexplored viral enzyme target. A focused protease inhibitor library was initially created and molecular docking was performed using CmDock software (v0.2.0), resulting in the selection of hit compounds for in vitro testing on the isolated enzyme. Among them, compound 372 exhibited promising inhibitory properties against PLpro, with an IC50 value of 82 ± 34 μM. The compound also displayed a new triazolopyrimidinyl scaffold not yet represented within protease inhibitors. Molecular dynamics simulations demonstrated the favorable binding properties of compound 372. Structural analysis highlighted its key interactions with PLpro, and we stress its potential for further optimization. Moreover, besides compound 372 as a candidate for PLpro inhibitor development, this study elaborates on the PLpro binding site dynamics and provides a valuable contribution for further efforts in pan-coronaviral PLpro inhibitor development.
Ključne besede: drug design, protease inhibitor, SARS-CoV-2, papain-like protease, PLpro, antiviral design, in silico drug design, CADD, virtual screening, HTVS, structure-based design
Objavljeno v DiRROS: 07.08.2024; Ogledov: 630; Prenosov: 456
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3. Extremophilic microorganisms in Central EuropeVera Zgonik, Janez Mulec, Tina Eleršek, Nives Ogrinc, Polona Jamnik, Nataša Poklar Ulrih, 2021, pregledni znanstveni članek Povzetek: Extremophiles inhabit a wide variety of environments. Here we focus on extremophiles in moderate climates in central Europe, and particularly in Slovenia. Although multiple types of stress often occur in the same habitat, extremophiles are generally combined into groups according to the main stressor to which they are adapted. Several types of extremophiles, e.g., oligotrophs, are well represented and diverse in subsurface environments and karst regions. Psychrophiles thrive in ice caves and depressions with eternal snow and ice, with several globally distributed snow algae and psychrophilic bacteria that have been discovered in alpine glaciers. However, this area requires further research. Halophiles thrive in salterns while thermophiles inhabit thermal springs, although there is little data on such microorganisms in central Europe, despite many taxa being found globally. This review also includes the potential use of extremophiles in biotechnology and bioremediation applications.
Ključne besede: ekstremofilni mikroorganizmi, mikrobna ekologija, ekstremofili, oligotrofi, psihrofili, halofili, termofili
Objavljeno v DiRROS: 05.08.2024; Ogledov: 580; Prenosov: 531
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