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1.
J Mol Model ; 30(8): 255, 2024 Jul 06.
Artigo em Inglês | MEDLINE | ID: mdl-38970658

RESUMO

CONTEXT: Although quantum mechanical calculations have proven effective in accurately predicting UV absorption and assessing the antioxidant potential of compounds, the utilization of computer-aided drug design (CADD) to support sustainable synthesis research of new sunscreen active ingredients remains an area with limited exploration. Furthermore, there are ongoing concerns about the safety and effectiveness of existing sunscreens. Therefore, it remains crucial to investigate photoprotection mechanisms and develop enhanced strategies for mitigating the harmful effects of UVR exposure, improving both the safety and efficacy of sunscreen products. A previous study conducted synthesis research on eight novel hybrid compounds (I-VIII) for use in sunscreen products by molecular hybridization of trans-resveratrol (RESV), avobenzone (AVO), and octinoxate (OMC). Herein, time-dependent density functional theory (TD-DFT) calculations performed in the gas phase on the isolated hybrid compounds (I-VIII) proved to reproduce the experimental UV absorption. Resveratrol-avobenzone structure-based hybrids (I-IV) present absorption maxima in the UVB range with slight differences between them, while resveratrol-OMC structure-based hybrids (V-VIII) showed main absorption in the UVA range. Among RESV-OMC hybrids, compounds V and VI exhibited higher UV absorption intensity, and compound VIII stood out for its broad-spectrum coverage in our simulations. Furthermore, both in silico and in vitro analyses revealed that compounds VII and VIII exhibited the highest antioxidant activity, with compound I emerging as the most reactive antioxidant within RESV-AVO hybrids. The study suggests a preference for the hydrogen atom transfer (HAT) mechanism over single-electron transfer followed by proton transfer (SET-PT) in the gas phase. With a strong focus on sustainability, this approach reduces costs and minimizes effluent production in synthesis research, promoting the eco-friendly development of new sunscreen active ingredients. METHODS: The SPARTAN'20 program was utilized for the geometry optimization and energy calculations of all compounds. Conformer distribution analysis was performed using the Merck molecular force field 94 (MMFF94), and geometry optimization was carried out using the parametric method 6 (PM6) followed by density functional theory (DFT/B3LYP/6-31G(d)). The antioxidant behavior of the hybrid compounds (I-VIII) was determined using the highest occupied molecular orbital (εHOMO) and the lowest unoccupied molecular orbital (εLUMO) energies, as well as the bond dissociation enthalpy (BDE), ionization potential (IP), and proton dissociation enthalpy (PDE) values, all calculated at the same level of structural optimization. TD-DFT study is carried out to calculate the excitation energy using the B3LYP functional with the 6-31G(d) basis set. The calculated transitions were convoluted with a Gaussian profile using the Gabedit program.


Assuntos
Antioxidantes , Desenho Assistido por Computador , Desenho de Fármacos , Resveratrol , Protetores Solares , Raios Ultravioleta , Protetores Solares/química , Antioxidantes/química , Antioxidantes/farmacologia , Resveratrol/química , Propiofenonas/química , Teoria da Densidade Funcional , Estilbenos/química , Estilbenos/farmacologia , Modelos Moleculares , Teoria Quântica , Estrutura Molecular
2.
Plants (Basel) ; 13(14)2024 Jul 18.
Artigo em Inglês | MEDLINE | ID: mdl-39065494

RESUMO

High solar radiation, combined with high temperature, causes losses in plant production. The application of foliar protector in plants is associated with improvements in photosynthesis, reduction in leaf temperature and, consequently, improved productivity. Two experiments were conducted. The first aimed to assess the efficacy of foliar protector versus artificial shading in mitigating the negative impacts of excessive radiation and temperature on the physiology, growth, and yield of common bean plants. The second experiment focused on comparing the timing in cycle plants (phenological phases) of foliar protector application in two different bean cultivars (BRS Fc 104 and BRS MG Realce) under field conditions. Artificial shading provided better results for photosynthesis, transpiration, growth and production compared to the application of foliar protector. In the field conditions experiment, the application timing of the foliar protector at different phenological phases did not increase productivity in the cultivars. The application of foliar protector under the conditions studied was not effective in mitigating the negative impacts of high solar radiation and temperature on common bean cultivation. However, it is opportune to evaluate the application of foliar protector in bean plants grown under conditions with water deficit, high solar radiation and high temperature.

3.
Photochem Photobiol ; 2024 Jun 03.
Artigo em Inglês | MEDLINE | ID: mdl-38828502

RESUMO

The field of sun protection is quickly changing and the research article by Douki et al., published in the current issue of Photochemistry and Photobiology, reported key experimental data that will certainly help the development of better sun care products. Mutagenic photoproducts (CPDs, cyclobutane pyrimidine dimers and 6-4PPs, pyrimidine-6-4-pyrimidone photoproducts) were formed in the reconstructed human epidermis (RHE) by UVB (312 nm) irradiation, and their concentrations were detected by HPLC-MS/MS as a function of time after the UVB treatment. RHE had been previously exposed or not (control) to blue light (427 nm). Both CPDs and 6-4PPs were shown to last longer in blue-light irradiated RHE, proving the inhibition of the DNA repair by blue light exposure. This is a highly relevant information because sunscreens allow people to enjoy longer periods under the sun and consequently, to endure very high doses of blue light. The work also reported results obtained with RHEs previously treated with a sunscreen formulation containing a broadband filter that offers blue-light protection. Interestingly, authors observed that the DNA repair was not significantly inhibited in RHE previously treated with the sunscreen offering broadband protection. Readers will find a scientifically sound proof of the importance of blue-light protection in sun care products.

4.
Photodermatol Photoimmunol Photomed ; 40(4): e12985, 2024 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-38845468

RESUMO

BACKGROUND: Photoprotection is the first measure in the prevention and treatment of the deleterious effects that sunlight can cause on the skin. It is well known that prolonged exposure to solar radiation leads to acute and chronic complications, such as erythema, accelerated skin aging, proinflammatory and procarcinogenic effects, and eye damage, among others. METHODS: A better understanding of the molecules that can protect against ultraviolet radiation and their effects will lead to improvements in skin health. RESULTS: Most of these effects of the sunlight are modulated by oxidative stress and proinflammatory mechanisms, therefore, the supplementation of substances that can regulate and neutralize reactive oxygen species would be beneficial for skin protection. Current evidence indicates that systemic photoprotection should be used as an adjunctive measure to topical photoprotection. CONCLUSION: Oral photoprotectors are a promising option in improving protection against damage induced by UVR, as they contain active ingredients that increase the antioxidant effects of the body, complementing other photoprotection measures. We present a review of oral photoprotectors and their effects.


Assuntos
Substâncias Protetoras , Raios Ultravioleta , Humanos , Administração Oral , Antioxidantes/administração & dosagem , Estresse Oxidativo/efeitos dos fármacos , Espécies Reativas de Oxigênio/metabolismo , Pele/metabolismo , Pele/efeitos da radiação , Pele/efeitos dos fármacos , Luz Solar/efeitos adversos , Raios Ultravioleta/efeitos adversos , Substâncias Protetoras/administração & dosagem
5.
Pharmaceutics ; 16(5)2024 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-38794323

RESUMO

Sunscreen products are essential for shielding the skin from ultraviolet (UV) radiation, a leading cause of skin cancer. While existing products serve this purpose, there is a growing need to enhance their efficacy while minimizing potential systemic absorption of UV filters and associated toxicological risks. Liposomal-based formulations have emerged as a promising approach to address these challenges and develop advanced photoprotective products. These vesicular systems offer versatility in carrying both hydrophilic and lipophilic UV filters, enabling the creation of broad-spectrum sunscreens. Moreover, their composition based on phospholipids, resembling that of the stratum corneum, facilitates adherence to the skin's surface layers, thereby improving photoprotective efficacy. The research discussed in this review underscores the significant advantages of liposomes in photoprotection, including their ability to limit the systemic absorption of UV filters, enhance formulation stability, and augment photoprotective effects. However, despite these benefits, there remains a notable gap between the potential of liposomal systems and their utilization in sunscreen development. Consequently, this review emphasizes the importance of leveraging liposomes and related vesicular systems as innovative tools for crafting novel and more efficient photoprotective formulations.

6.
Photochem Photobiol Sci ; 23(5): 853-869, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38613600

RESUMO

Synthetic sunscreen offers protection against excessive exposure to ultraviolet (UV) radiation from the sun, and protects the skin from possible damage. However, they have low efficacy against the formation of reactive oxygen species (ROS), which are highly reactive molecules that can be generated in the skin when it is exposed to UV radiation, and are known to play a role in oxidative stress, which can contribute to skin aging and damage. Thus, there is an ongoing search for sunscreens that do not have these negative effects. One promising source for these is natural products. Therefore, the current patent review summarizes topical formulations made from natural compounds that have antioxidant properties and can be used as photoprotective or anti-aging agents, either using a single natural extract or a combination of extracts. The review reports basic patent information (applicant country, type of applicant, and year of filing) and gives details about the invention, including its chemical composition, and the in vitro and in vivo tests performed. These patents describe natural products that can be used to protect the skin and validate their efficacy, and safety, in addition to standardizing their formulations. The compositions described illustrate the consistent innovation in the use of natural products to protect against UV damage and photoaging disorders, a promising field which is receiving growing global recognition.


Assuntos
Produtos Biológicos , Protetores Solares , Raios Ultravioleta , Protetores Solares/farmacologia , Protetores Solares/química , Humanos , Produtos Biológicos/química , Produtos Biológicos/farmacologia , Raios Ultravioleta/efeitos adversos , Patentes como Assunto , Pele/efeitos dos fármacos , Pele/efeitos da radiação , Envelhecimento da Pele/efeitos dos fármacos , Envelhecimento da Pele/efeitos da radiação , Antioxidantes/farmacologia , Antioxidantes/química , Animais , Extratos Vegetais/farmacologia , Extratos Vegetais/química
7.
Front Plant Sci ; 15: 1344820, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38425802

RESUMO

Desiccation tolerance in vegetative tissues enables resurrection plants to remain quiescent under severe drought and rapidly recover full metabolism once water becomes available. Barbacenia graminifolia is a resurrection plant that occurs at high altitudes, typically growing on rock slits, exposed to high irradiance and limited water availability. We analyzed the levels of reactive oxygen species (ROS) and antioxidants, carotenoids and its cleavage products, and stress-related phytohormones in fully hydrated, dehydrated, and rehydrated leaves of B. graminifolia. This species exhibited a precise adjustment of its antioxidant metabolism to desiccation. Our results indicate that this adjustment is associated with enhanced carotenoid and apocarotenoids, α-tocopherol and compounds of ascorbate-glutathione cycle. While α-carotene and lutein increased in dried-leaves suggesting effective protection of the light-harvesting complexes, the decrease in ß-carotene was accompanied of 10.2-fold increase in the content of ß-cyclocitral, an apocarotenoid implicated in the regulation of abiotic stresses, compared to hydrated plants. The principal component analysis showed that dehydrated plants at 30 days formed a separate cluster from both hydrated and dehydrated plants for up to 15 days. This regulation might be part of the protective metabolic strategies employed by this resurrection plant to survive water scarcity in its inhospitable habitat.

8.
Pharmaceutics ; 16(3)2024 Mar 20.
Artigo em Inglês | MEDLINE | ID: mdl-38543321

RESUMO

The topical use of sunscreens is recommended for avoiding the damaging effects of UV radiation. However, improvements are still needed in the existing products to enhance their photoprotection effectiveness and safety. This involves minimizing the use of chemical UV filters while providing enhanced and prolonged photoprotection. This work investigated novel sunscreen formulations and their UV protection effects by encapsulating Uvinul® A, Tinosorb® S, and Uvinul® T150 into nanostructured lipid carriers (NLCs) based on bacuri butter and raspberry seed oil. First, the impact of critical formulation and process parameters on NLCs' particle size was evaluated using a 22 Face Centered Central Composite Design. Then, formulations were evaluated in terms of critical quality factors, in vitro skin permeation, and in vitro and in vivo photoprotection activities. The developed NLCs-containing formulations exhibited appropriate size (122-135 nm), PdI (<0.3), encapsulation efficiency (>90%), and drug content (>80%), which were preserved for at least 90 days under different stability conditions. Moreover, these NLCs-based formulations had equivalent skin permeation to emulsion-based controls, and the addition of NLCs into sunscreen cream bases in the optimum proportion of 20% (w/w) resulted in enhanced UVA and UVB photoprotection levels, despite a 10% reduction in the total filters content. Altogether, these results describe the application of nanoencapsulated organic UV filters in innovative sunscreen formulations to achieve superior photoprotection and cosmeceutical properties.

9.
Biotechnol J ; 19(2): e2300325, 2024 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-38385504

RESUMO

Ultraviolet (UV) radiation from sunlight can damage DNA, inducing mutagenesis and eventually leading to skin cancer. Topical sunscreens are used to avoid the effect of UV irradiation, but the topical application of DNA repair enzymes, such as photolyase, can provide active photoprotection by DNA recovery. Here we produced a recombinant Thermus thermophilus photolyase expressed in Escherichia coli, evaluated the kinetic parameters of bacterial growth and the kinetics and stability of the enzyme. The maximum biomass (𝑋𝑚𝑎𝑥 ) of 2.0 g L-1 was reached after 5 h of cultivation, corresponding to 𝑃X  = 0.4 g L-1 h. The µð‘šð‘Žð‘¥ corresponded to 1.0 h-1 . Photolyase was purified by affinity chromatography and high amounts of pure enzyme were obtained (3.25 mg L-1 of cultivation). Two different methods demonstrated the enzyme activity on DNA samples and very low enzyme concentrations, such as 15 µg mL-1 , already resulted in 90% of CPD photodamage removal. We also determined photolyase kM of 9.5 nM, confirming the potential of the enzyme at very low concentrations, and demonstrated conservation of enzyme activity after freezing (-20°C) and lyophilization. Therefore, we demonstrate T. thermophilus photolyase capacity of CPD damage repair and its potential as an active ingredient to be incorporated in dermatological products.


Assuntos
Desoxirribodipirimidina Fotoliase , Desoxirribodipirimidina Fotoliase/genética , Desoxirribodipirimidina Fotoliase/química , Desoxirribodipirimidina Fotoliase/metabolismo , Thermus thermophilus , Raios Ultravioleta , DNA/química , Reparo do DNA
10.
Braz. j. biol ; 84: e258557, 2024. tab, ilus
Artigo em Inglês | VETINDEX | ID: biblio-1384092

RESUMO

Endophytic fungi colonize the inter- and/or intracellular regions of healthy plant tissues and have a close symbiotic relationship with their hosts. These microorganisms produce antibiotics, enzymes, and other bioactive compounds that enable them to survive in competitive habitats with other microorganisms. In addition, secondary metabolites confer protection to their host plant against other bacterial and fungal pathogens and/or can promote plant growth. Endophytic fungi are viewed as a promising source of bioactive natural products, which can be optimized through changes in growing conditions. The exploration of novel bioactive molecules produced by these microorganisms has been attracting attention from researchers. The chemical and functional diversity of natural products from endophytic fungi exhibits a broad spectrum of applications in medicine, agriculture, industry and the environment. Fungal endophytes can also enhance the photoprotective effects and photochemical efficiency in the host plants. Modern omic approaches have facilitated research investigating symbiotic plant-endophytic fungi interactions. Therefore, research on endophytic fungi can help discovery novel biomolecules for various biotechnological applications and develop a sustainable agriculture.


Fungos endofíticos colonizam as regiões inter e/ou intracelulares de tecidos vegetais saudáveis e possuem uma relação de simbiose com seus hospedeiros. Esses microrganismos produzem antibióticos, enzimas e outros compostos bioativos que os permitem sobreviver em habitats competitivos com outros microrganismos. Além disso, os metabólitos secundários conferem proteção à planta hospedeira contra outros patógenos bacterianos e fúngicos e/ou podem promover o crescimento vegetal. Os fungos endofíticos são considerados uma fonte promissora de produtos naturais bioativos, que podem ser otimizados por meio de mudanças nas condições de cultivo. A exploração de novas moléculas bioativas produzidas por esses microrganismos tem chamado a atenção dos pesquisadores. A diversidade química e funcional dos produtos naturais de fungos endofíticos exibe um amplo espectro de aplicações na medicina, agricultura, indústria e meio ambiente. Os fungos endofíticos também podem aumentar os efeitos fotoprotetores e a eficiência fotoquímica nas plantas hospedeiras. As abordagens ômicas modernas têm facilitado as pesquisas sobre as interações simbióticas entre plantas e fungos endofíticos. Portanto, a pesquisa sobre fungos endofíticos pode ajudar na descoberta de novas biomoléculas para diversas aplicações biotecnológicas e a desenvolver uma agricultura sustentável.


Assuntos
Endófitos , Fungos , Produtos Biológicos , Biotecnologia
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