Browsing by Author "Shiraishi, Carlos S.H."
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- Blockchain revolution in food supply chains: A positive impact on global food loss and wastePublication . Shiraishi, Carlos S.H.; Roriz, Custódio Lobo; Carocho, Márcio; Prieto Lage, Miguel A.; Abreu, Rui M.V.; Barros, Lillian; Heleno, Sandrina A.The rising global population has created an urgent need for increased food production. Food loss and waste remain significant challenges throughout the food supply chain, from cultivation to consumption. Blockchain, a decentralized peer-to-peer network that stores information can help making food more traceable, from production to consumption. It can also help enhance food production sustainability, transparency, quality and safety. By tracking all aspects of food it plays a crucial role in reducing food loss and waste. Several organizations that have briefly introduced this technology, along with the Internet of Things, although the real benefit of blockchain is achieved when several players in the food chain adhere to this technology. This review emphasizes how blockchain was adapted to the food chain, its challenges, benefits and limitations, and how some food sectors have used this technology. A brief perspective on how the Internet of Things and Blockchain will evolve in the future.
- Estudo do potencial anti-inflamatório de uma biblioteca de compostos naturais de cogumelos por screening virtual contra as Enzimas COX (-1 E -2)Publication . Shiraishi, Carlos S.H.; Abreu, Rui M.V.; Gonçalves, Odinei HessO uso de Anti-Inflamatórios Não Esteroides (AINEs) no tratamento de doenças inflamatórias tem sido generalizado, principalmente no tratamento da artrite reumatóide. Os AINEs atuam principalmente promovendo a inibição das enzimas ciclooxigenases, especificamente as isoenzimas COX-1 e COX-2. As enzimas COX catalisam a conversação do ácido araquidônico em prostaglandinas. Os AINEs que atuam como inibidores das enzimas COX, induzem uma significativa atividade anti-inflamatória, analgésica e antipirética. No entanto, dados recentes mostram que o uso prolongado de AINEs pode originar efeitos colaterais cardiovasculares, incluindo insuficiência cardíaca isquêmica e infarte do miocárdio. O uso de compostos naturais como potenciais anti-inflamatórios, através da inibição das enzimas COX, têm sido assim proposto. Neste estudo, uma biblioteca de compostos de baixo peso molecular (LMW 3.0), presentes em cogumelos, foi preparada e aumentada para 190 compostos, a partir de bibliotecas preparadas anteriormente com 40 compostos (LMW 1.0) e 115 compostos (LMW 2.0), respetivamente. As famílias de compostos presentes na biblioteca incluem: quinonas, isoflavonas, flavonas, catecóis, aminas, ácidos gordos, alcaloides, terpenos, esteroides e derivados de aminoácidos. Foram também realizados estudos in silico de toxicidade (ADMET), tendo-se previsto que no geral estes compostos apresentam baixa toxicidade. De seguida realizou-se a seleção das estruturas 3D, de cada uma das enzimas COX, e procedeu-se à seleção do melhor software de docking por intermédio de estudo de Re-Docking e Cross-Docking. A biblioteca LMW 3.0 foi então testada in silico, contra as estruturas selecionadas das enzimas COX-1 e COX-2, utilizando o software de docking selecionado, o AutoDock Vina (VINA). Dos 190 compostos testados, os quatro que apresentaram o valor mais baixo de constante de inibição (Ki) previsto contra COX-1, foram: a Aurisina A (152,4 nM), a Naringina (496,8 nM), a 5,6-Epoxi-24(R)-metilcolesta-7,22-dien-3B-ol (588,1 nM) e a Aurisina K (696,2 nM). Para a COX-2, os compostos que apresentaram menor valor de Ki previsto foram: a Clavilactona C (55,4 nM); o Inonotusol C (77,6 nM), o Inonotusol A (91,9 nM) e a Putrescina-1,4-dicinamida (91,9 nM). Foram também realizados estudos in silico de toxicidade (ADMET), tendo-se previsto que, no geral, os compostos que apresentaram melhor potencial inibidor das enzimas COX-1 e COX-2 apresentaramtambém baixa toxicidade prevista. A modo de avaliar o melhor composto (clavilactona C), realizou-se a dinâmica molecular demonstrando a estabilidade com a proteína COX-2. Os compostos que apresentaram maior potencial previsto de inibição da COX-1 e COX-2 poderão assim ser considerados como candidatos a fármacos com potencial anti-inflamatório, sendo necessário no entanto que esta atividade seja verificada experimentalmente.
- Evaluation of berberine nanoparticles as a strategy to modulate acetylcholinesterase activityPublication . Leimann, Fernanda Vitória; Souza, Luma Borges de; Oliveira, Byanca Pereira Moreira de; Rossi, Bruna Franzon; Silva, Patricia Sabino da; Shiraishi, Carlos Seiti Hurtado; Kaplum, Vanessa; Abreu, Rui M.V.; Pereira, Carla; Barros, Lillian; Peron, Ana Paula; Ineu, Rafael Porto; Oechsler, Bruno Francisco; Sayer, Claudia; Araujo, Pedro Henrique Hermes de; Gonçalves, Odinei Hess; Shiraishi, Carlos S.H.Researchers have concentrated efforts in the search for natural-based reversible inhibitors for cholinesterase enzymes as they may play a key role in the treatment of degenerative diseases. Diverse plant alkaloids can inhibit the action of acetylcholinesterase and, among them, berberine is a promising bioactive. However, berberine has poor water solubility and low bioavailability, which makes it difficult to use in treatment. The solid dispersion technique can improve the water affinity of hydrophobic substances, but berberine solid dispersions have not been extensively studied. Safety testing is also essential to ensure that the berberine-loaded solid dispersions are safe for use. This study investigated the effectiveness of berberine-loaded solid dispersions (SD) as inhibitors of acetylcholinesterase enzyme (AChE). Docking simulation was used to investigate the influence of berberine on AChE, and in vitro assays were conducted to confirm the enzymatic kinetics of AChE in the presence of berberine. Berberine SD also showed improved cytotoxic effects on tumoral cells when dispersed in aqueous media. In vivo assays using Allium cepa were implemented, and no cytotoxicity/genotoxicity was found for the berberine solid dispersion. These results suggest that berberine SD could be a significant step towards safe nanostructures for use in the treatment of neurodegenerative diseases.
- FIG (Ficus Carica L.) Bioresidues as sources of bioactive compounds and natural pigments for the food industryPublication . Shiraishi, Carlos S.H.; Zbiss, Yosra; Roriz, Custódio Lobo; Carocho, Márcio; Domingos, Sara; Calhelha, Ricardo C.; Alves, Maria José; Abreu, Rui M.V.; Prieto Lage, Miguel A.; Heleno, Sandrina A.; Barros, LillianThe 17 goals of sustainable development address several topics, such as: (2) Zero hunger and sustainable agriculture; (9) Industry, Innovation, and Infrastructure; (12) Responsible consumption and production; that are essential for the promotion of the circular economy, product development and conscious production [1]. Fig is a food matrix, cultivated in Portugal and valued by the Portuguese people for consumption in natura, being also used in wines, liqueurs, and jams. As this fruit is very appreciated and consumed, it´s cultivation leads to the production of tons of leaves, usually discarded [2]. Therefore, in the present work, the leaves of five fig varieties (Figure 1), namely Dauphine (Da), Longue d'Aout (La), Pasteliere (Pa), Marseille (Ma) and Bourjassote Noire (Bn), were nutritionally and chemically characterized to detect possible bioactive molecules. The antioxidant and antimicrobial, activities were also analyzed, to provide the food industry with natural additives in alternative to the artificial ones; and at the same time, promote the circular economy. Regarding the nutritional profile of the five leaves, La sample exhibited the highest amount in proteins (18.0±0.6 g/100g dw), while Pa revealed the highest content in fats (2.2±0.1 g/100g dw). The highest moisture content was presented by Da leaves (17.3±0.1 g/100g fw), and for the ashes, La sample was the one that presented the highest value (14.18±0.06 g/100g fw). Concerning the organic acids, these molecules were most abundant in Ma leaves, where it was possible to identify oxalic, malic and citric acids with a total of 139.6±0.4 mg/g dw. For the soluble sugars profiling, in all samples it was possible to identify five sugars, namely, fructose, glucose, sucrose, trehalose, and raffinose in different concentrations; however, Da leaves revealed the higher amount (17±1 g/100g dw). Tocopherols where also analyzed, and in all samples, three of the four isoforms where detected, being Pa sample standing for the predominance of these compounds (4.14±0.05 mg/100 g dw). For the bioactive analysis, different assays were performed, and Pa sample showed the strongest antioxidant potential for the TBARS assay, with an EC50 value of 105±5 mg/mL. For the antimicrobial activity assay, Da leaf extract was the one displaying the best results, by presenting Minimum Inhibitory Concentrations (MIC) ranging from 1.25 to 10 mg/mL against the tested bacterial strains. On the other hand, for the antifungal activity, the samples present very similar profiles, with the exception of the Pa sample, that present the lowest MIC of 5 mg/mL for Aspergillus fumigatus. In general, these leaf extracts can be used in the food industry namely in pastry and bakery products as promising sources of bioactive compounds, and at the same time, this reuse of biowaste promotes circular economy, and reduces the impact of biowaste resulting from the fig industry, thus meeting some of the goals of sustainable development.
- Molecular diversity of bioactive compounds from horned melon peel: Solvent dynamics, antibacterial activity against multidrug-resistant Pseudomonas aeruginosa and in silico interactions with virulence factorsPublication . Rajaković, Mladen; Gašić, Uroš; Bukvički, Danka; Pešić, Mirjana; Milinčić, Danijel; Petrović, Jovana; Sofrenić, Ivana; Shiraishi, Carlos S.H.; Stojković, DejanThis study examines chemical composition and the antibacterial properties of various hydro-ethanolic extracts of Cucumis metuliferus E. Mey peel against the multidrug-resistant pathogen Pseudomonas aeruginosa. Several parameters, including ethanol concentration, extraction time, and ultrasonic power, were used in the ultrasound-assisted extraction of C. metuliferus peel. UHPLC-QToF-MS analysis was used to explore the molecular diversity of bioactive compounds in the sample extracts (25 in total), identifying nine hydroxybenzoic acid derivatives and eleven other compounds. Furthermore, antibacterial activity of these extracts was determined. Four of the tested extracts exhibited promising antibacterial properties, with MIC value 0.25 mg/mL and MBC value 0.5 mg/mL. Molecular docking simulations were employed to identify bioactive compounds within the extracts that target some P. aeruginosa virulence factors, specifically elastase B and lipase A. The results revealed that several compounds, including decaffeoyl-acteoside, as well as derivatives of vanillic and hydroxybenzoic acids, exhibited strong binding affinities to both enzymes, suggesting their promising potential as inhibitors of P. aeruginosa virulence. Furthermore, decaffeoyl-acteoside exhibited high binding affinity for both enzymes, highlighting its potential as a dual-target therapeutic agent. The study effectively leverages solvent dynamics to maximize the extraction and bioactivity of C. metuliferus peel compounds. It provides a clear demonstration of how manipulating solvent conditions can influence molecular interactions, extraction yield, and the functional properties of bioactive compounds. The obtained results regarding promising antibacterial and virulence-inhibiting qualities support further research into C. metuliferus peel compounds as a natural alternative to traditional antimicrobial treatments.
- New trends from fungi secondary metabolism in the pharmaceutical industryPublication . Calhelha, Ricardo C.; Shiraishi, Carlos S.H.; Ribeiro, Lúcia Marisa Maia; Carocho, Márcio; Abreu, Rui M.V.; Coutinho, Paula; Barros, Lillian; Vaz, Josiana A.; Ferreira, Isabel C.F.R.Fungi are eukaryotic organisms that can produce a wide range of secondary metabolites with a significant impact on society. Some metabolites are exploited for their activity as antioxidant, anti-inflammatory, antitumor, and anti-microbial agents, and in the production of cancer vaccines, among other pharmaceutical applications. Since the discovery of penicillin, the pharmaceutical industry has been greatly interested in fungi as sources of natural bioactive compounds, and fungi metabolites have made an indispensable contribution to improving human and animal health throughout the last decades. Starting with the development of antibiotics, the pharmaceutical industry has increasingly turned to these compounds for a variety of applications. The increase in the number of patents registered worldwide is a strong indicator that the market realizes the great potential of fungi secondary metabolites. In general, the pharmaceutical industry trend is centered on adopting different strategies to discover new drugs, and fungi secondary metabolites are viewed as having significant potential. This chapter explores the current pharmaceutical applications of secondary metabolites found in fungi. Initially, the most recent mushroom studies and their commercial pharmaceutical and cosmeceutical applications are explored. An overview of the different classes of fungi secondary metabolites with biologically relevant activities is then presented. Recently marine fungi were found to be a rich source of secondary metabolites. Due to the recent relevancy of marine fungi, an overview of marine fungi secondary metabolites with relevant pharmaceutical-related activities is also presented. Finally, the potential of fungi metabolites as a source of natural pigments and the methodologies used to characterize and explore fungi secondary metabolites are also analyzed.
- Virtual screening of a library of natural compounds against COX-2 proteinPublication . Shiraishi, Carlos S.H.; Souza, Sérgio F.; Prieto Lage, Miguel A.; Barros, Lillian; Abreu, Rui M.V.The use of nonsteroidal anti-inflammatory drugs (NSAIDs) in treating inflammatory diseases has been widespread, especially in treating rheumatoid arthritis. NSAIDs act mainly by promoting the inhibition of cyclooxygenase enzymes (COX-1 and COX-2), inducing significant anti-inflammatory, analgesic, and antipyretic activity. However, recent data show that prolonged use of NSAIDs can lead to cardiovascular side effects. Thus, the present work aims to identify COX-2 inhibitors alternatives from natural sources, specifically mushrooms, as an alternative to conventional inhibitors.