1st Natural products application: health, cosmetic and food: book of abstracts

The Mountain Research Center is one of the research groups working within the Polytechnic Institute of Braganza, in Braganza Portugal. Since the foundation of this center in 2003, more than a thousand research items have been published throughout more than 40 international public funding’s, allowing the center to interact internationally with many research groups from the academy and also with the private sector. In all these years, we have had the commitment of disseminating science around the world, creating solid and robust bonds and partnerships with both, academia and industrial innovator, and we are always looking for more challenging collaborations. In this sense, the mountain research center gathers di erent ways to keep evolving our main mission of Science dissemination. In the present moment, where we all are involved in ghting against the current problem the world is facing, we have decided to join the scienti c community adopting the available resources in order to keep the owing communication of our works. Therefore, one of our responses was the creation of the rst edition of the Natural Product Applications Online Congress, which focuses on the dissemination of works involved in the cosmetic, food, and health industries. Thanks to all of you in less than a month the congress reached more than 450 registration from universities and important companies from di erent parts of the world. The NPA congress received and processed more than 200 communications, from which the scienti c committee has selected and referred each of them to their appropriate type for communication considering the limited time we will have ahead. All the submitted works were divided into three main categories, Oral, Pitch, and Poster communications which add them up to our 9 Keynote lectures, and one special oral communication. We could not thank you more for your participations, and we hope to see you next year on the second edition of the Natural Product Applications Congress.info:eu-repo/semantics/publishedVersio

Estudo do potencial anti-inflamatório de uma biblioteca de compostos naturais de cogumelos por screening virtual contra as Enzimas COX (-1 E -2)

Mestrado de dupla diplomação com a UTFPR - Universidade Tecnológica Federal do ParanáO 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 apresentaram também 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.The use of non-steroidal anti-inflammatory drugs (NSAIDs) in the treatment of inflammatory diseases has been widespread, mainly in the treatment of rheumatoid arthritis. NSAIDs act mainly by promoting the inhibition of cyclooxygenase enzymes, specifically the isoenzymes COX-1 and COX-2. COX enzymes catalyze the conversation of arachidonic acid in prostaglandins. NSAIDs that act as inhibitors of COX enzymes induce significant anti- inflammatory, analgesic and antipyretic activity. However, recent data show that prolonged use of NSAIDs can lead to cardiovascular side effects, including ischemic heart failure and heart attack. The use of natural compounds, as potential antiinflammatory drugs, through inhibition of COX enzymes has thus been proposed. In this study, a library of low molecular weight compounds (LMW 3.0), present in mushrooms, was prepared and increased to 190 compounds, from libraries previously prepared with 40 compacts (LMW 1.0) and 115 compounds (LMW 2.0), respectively. The families of compounds present in the library include: quinones, isoflavones, flavones, catechols, amines, fatty acids, alkaloids, terpenes, steroids and amino acid derivatives. in silico toxicity studies (ADMET) were also carried out, and it was predicted that in general these compounds present low toxicity. Then, the 3D structures were selected for each of the COX enzymes, and the best docking software was selected through Re-Docking and Cross-Docking studies. The LMW 3.0 library was then tested in silico, against the selected structures of the COX-1 and COX-2 enzymes, using the selected docking software, AutoDock Vina (VINA). Of the 190 compounds tested, the four that showed the lowest predicted inhibition constant (Ki) against COX-1, were: Aurisin A (152.4 nM), Naringin (496.8 nM), 5,6-Epoxy-24(R)- methylcholesta-7,22-dien-3B-ol (588.1 nM) and Aurisin K (696.2 nM). For COX-2, the compounds that had the lowest predicted Ki value were: Clavylactone C (55.4 nM); Inonotusol C (77.6 nM), Inonotusol A (91.9 nM) and Putrescine-1,4-dicinamide (91.9 nM). in silico toxicity studies (ADMET) were also carried out, and it was predicted that, in general, the compounds that showed the best inhibitory potential for COX-1 and COX-2 enzymes also had low expected toxicity. In order to evaluate the best compound (clavylactone C), molecular dynamics was performed demonstrating stability with the COX-2 protein. The compounds from the LMW 3.0 library that showed the greatest potential for inhibition of COX-1 and COX-2 could thus be considered as candidates for drugs with anti-inflammatory

TRANSCOLAB SUMMIT: Trends in grain-based foods: book of abstracts

TRANSCOLAB is a European project that brings together universities, research centres, foundations, and companies from Castilla y León and Northern Portugal. This project intends to strengthen the connection between research institutions and companies, identifying the challenges and needs of the cereal industry and the existing scientific-technological capacities of the participating entities. It also aims to generate novel products, promote knowledge and innovation transfer, and develop a series of actions to promote innovative products and processes in the cereal sector, particularly in bakery and pastry. Therefore, and because the project is coming to an end, the TRANSCOLAB partners organised an international congress, bringing together researchers and professionals to share innovative ideas in this field. The congress is divided into four different topics: 1. Past as key to the future (ancient grains, wholemeal products, and sourdoughs) 2. New Ingredients in grain-based products (Pseudocereals, pulses, and new flour sources) 3. Novel technologies, processes, and products 4. Sustainability and Circular economy. The TRANSCOLAB SUMMIT team would like to thank you for your application to the congress, contributing to its success, with more than 170 registrations. The submitted works were received, processed, divided into two main categories (Oral Communications and Posters), and later distributed according to the aforementioned topics. In total, 34 Oral and 42 Panel Communications will be presented, joined by three Technical Communications and six plenary lectures. Moreover, the TRANSCOLAB SUMMIT will start with a Traditional and Innovative Bakery workshop, with 45 participants. On the SUMMIT’s last day, we will have a discussion panel regarding “Myths and truths regarding cereal consumption”. Once again, we would like to thank you all for attending our congress, and we hope to see you again at future research events.info:eu-repo/semantics/publishedVersio

New trends from fungi secondary metabolism in the pharmaceutical industry

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.The authors are grateful to the Foundation for Science and Technology (FCT, Portugal) for financial support through national funds FCT/MCTES to CIMO (UIDB/00690/2020). L. Barros and R. Calhelha thank the national funding by FCT through the institutional scientific employment program-contract for their contract, while M. Carocho thank FCT through the individual scientific employment program-contracts (CEECIND/00831/2018).info:eu-repo/semantics/publishedVersio

FIG (Ficus Carica L.) Bioresidues as sources of bioactive compounds and natural pigments for the food industry

The 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.The authors are grateful to the Foundation for Science and Technology (FCT, Portugal) for financial support through national funds FCT/MCTES to the CIMO (UIDB/00690/2020). S.Heleno and M. Carocho thank FCT for their individual employment program–contract (CEEC-IND/00831/2018, CEECIND/03040/2017), and L. Barros also thanks to the national funding by FCT through the institutional scientific employment program–contract for her contract. the European Regional Development Fund (ERDF) through the Competitiveness and Internationalization Operational Program for financial support to the project 100% Figo (POCI-01-0247-FEDER-064977) and for C. Shirashi PhD grant.info:eu-repo/semantics/publishedVersio