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1.
Molecules ; 29(8)2024 Apr 16.
Artigo em Inglês | MEDLINE | ID: mdl-38675627

RESUMO

The abietane diterpenoid 7α-acetoxy-6ß-hydroxyroyleanone (Roy) isolated from Plectranthus grandidentatus demonstrates cytotoxicity across numerous cancer cell lines. To potentiate anticancer attributes, a series of semi-synthetic Roy derivatives were generated and examined computationally. ADMET predictions were used to evaluate drug-likeness and toxicity risks. The antineoplastic potential was quantified by PASS. The DFT models were used to assess their reactivity and stability. Molecular docking determined cancer-related protein binding. MS simulations examined ligand-protein stability. Additionally, network pharmacology was used to identify potential targets and signaling pathways. Favorable ADME attributes and acceptable toxicity profiles were determined for all compounds. Strong anticancer potential was shown across derivatives (Pa 0.819-0.879). Strategic modifications altered HOMO-LUMO gaps (3.39-3.79 eV) and global reactivity indices. Favorable binding was revealed against cyclin-dependent kinases, BCL-2, caspases, receptor tyrosine kinases, and p53. The ligand exhibited a stable binding pose in MD simulations. Network analysis revealed involvement in cancer-related pathways. In silico evaluations predicted Roy and derivatives as effective molecules with anticancer properties. Experimental progress is warranted to realize their chemotherapeutic potential.


Assuntos
Abietanos , Diterpenos , Simulação de Acoplamento Molecular , Plectranthus , Humanos , Abietanos/química , Abietanos/farmacologia , Plectranthus/química , Simulação por Computador , Antineoplásicos/farmacologia , Antineoplásicos/química , Linhagem Celular Tumoral , Antineoplásicos Fitogênicos/farmacologia , Antineoplásicos Fitogênicos/química , Simulação de Dinâmica Molecular , Estrutura Molecular
2.
Molecules ; 28(13)2023 Jun 23.
Artigo em Inglês | MEDLINE | ID: mdl-37446611

RESUMO

Nanoparticles (NPs), due to their size, have a key position in nanotechnology as a spectrum of solutions in medicine. NPs improve the ability of active substances to penetrate various routes: transdermal, but also digestive (active endocytosis), respiratory and injection. Chitosan, an N-deacetylated derivative of chitin, is a natural biodegradable cationic polymer with antioxidant, anti-inflammatory and antimicrobial properties. Cross-linked chitosan is an excellent matrix for the production of nanoparticles containing active substances, e.g., the Ginkgo biloba extract (GBE). Chitosan nanoparticles with the Ginkgo biloba extract (GBE) were obtained by ion gelation using TPP as a cross-linking agent. The obtained product was characterized in terms of morphology and size based on SEM and Zeta Sizer analyses as well as an effective encapsulation of GBE in nanoparticles-FTIR-ATR and UV-Vis analyses. The kinetics of release of the active substance in water and physiological saline were checked. Biological studies were carried out on normal and cancer cell lines to check the cytotoxic effect of GBE, chitosan nanoparticles and a combination of the chitosan nanoparticles with GBE. The obtained nanoparticles contained and released GBE encapsulated in research media. Pure NPs, GBE and a combination of NPs and the extract showed cytotoxicity against tumor cells, with no cytotoxicity against the physiological cell line.


Assuntos
Quitosana , Nanopartículas , Extratos Vegetais/farmacologia , Ginkgo biloba
3.
Polymers (Basel) ; 15(4)2023 Feb 04.
Artigo em Inglês | MEDLINE | ID: mdl-36850077

RESUMO

Natural polymers are very widespread in the world, which is why it is so important to know about the possibilities of their use. Chitin is the second most abundant reproducible natural polymer in nature; however, it is insoluble in water and basic solvents. Chitin is an unused waste of the food industry, for which there are possibilities of secondary management. The research led to obtaining a soluble, environmentally friendly form of chitin, which has found potential applications in the many fields, e.g., medicine, cosmetics, food and textile industries, agriculture, etc. The deacetylated form of chitin, which is chitosan, has a number of beneficial properties and wide possibilities of modification. Modification possibilities mean that we can obtain chitosan with the desired functional properties, facilitating, for example, the processing of this polymer and expanding the possibilities of its application, also as biomimetic materials. The review contains a rich description of the possibilities of modifying chitin and chitosan and the main directions of their application, and life cycle assessment (LCA)-from the source of the polymer through production materials to various applications with the reduction of waste.

4.
Opt Express ; 29(10): 15356-15365, 2021 May 10.
Artigo em Inglês | MEDLINE | ID: mdl-33985236

RESUMO

This work presents the results of in vivo measurements of human corneal birefringence properties using the one-way reflective polariscope, in which the same module is used to generate and analyze the light polarization state. Data analysis was performed with the use of Mueller polarimetry techniques. The distribution of the azimuth angle and the phase retardation was determined on the paracentral and limbal areas. The results indicate growth of the phase retardation magnitude and the radial orientation of the azimuth angle in the cornea's peripheral region, which confirms our assumptions and the results presented by other researchers.


Assuntos
Córnea/fisiologia , Microscopia de Polarização/métodos , Birrefringência , Humanos , Modelos Biológicos , Fenômenos Fisiológicos Oculares , Análise Espectral
5.
EXCLI J ; 20: 792-811, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-33907542

RESUMO

Despite the high stress levels, paramedics seem to ignore or even negate the stress. This can be detrimental and lead to stress-related diseases. Therefore, we investigated the divergence between physiological and psychological stress responses of paramedics. Participants were 16 paramedics and 17 white-collar workers. We assessed psychological stress parameters, cortisol awakening response (CAR), and quantified immune parameters. In paramedics, electrocardiogram (ECG) was measured during one complete 24-hour shift. Our results revealed that CAR was higher in paramedics compared to controls. An alteration of immune parameters was observed even during days of free time. Also, ECG recordings showed acute stress in paramedics during rescue situations. Questionnaires revealed that rescue-service specific stressors affect psychological outcomes. However, paramedics reported significantly less mental stress and higher levels of depersonalization than controls. Taken together, our results suggest higher stress in paramedics compared to controls. However, paramedics negate their daily stress. Our findings underline therefore the importance to develop stress-management interventions for paramedics including sensitization for their stress reactions.

6.
Opt Express ; 28(1): 249-257, 2020 Jan 06.
Artigo em Inglês | MEDLINE | ID: mdl-32118955

RESUMO

This work presents a description of a polarimetric system for measuring the properties of birefringent media. In our reflection system the applied Stokes polarimeter acts both as a generator of the light's selected polarization states as well as a light analyzer leaving the examined medium. The method is based on six intensity distribution measurements realized in six different configurations of polarizers/analyzers: four linear and two circular ones. Thus, we have achieved parallel polariscope for linear polarizers and the crossed polariscope for circular polarizers. Such a setup can be easily applied for linearly birefringent media properties measurements including dichroic ones. This measurement setup and the measurement method were successfully tested in a homogeneous medium and a medium with variable phase difference.

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