12 documents found, page 1 of 2
Molecular diversity of bioactive compounds from horned melon peel: Solvent dyna...
Rajaković, Mladen; Gašić, Uroš; Bukvički, Danka; Pešić, Mirjana; Milinčić, Danijel; Petrović, Jovana; Sofrenić, Ivana; Shiraishi, Carlos S.H.This 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 explo...
Blockchain revolution in food supply chains: A positive impact on global food l...
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, transparenc...
In Silico Identification of Six Mushroom-Derived Sterol and Triterpenoid Compou...
Fonseca, Jéssica; Shiraishi, Carlos S.H.; Abreu, Rui M.V.; Ricardo, Sara; Vaz, Josiana A.The overexpression of P-glycoprotein (P-gp) is often directly related to multidrug resistance (MDR), one of the greatest challenges in cancer treatment. This transmembrane efflux pump decreases the intracellular concentrations of chemotherapy drugs, reducing their effectiveness and resulting in treatment failure. This work used in silico methods to assess the potential of bioactive chemicals produced from mushr...
Computational analysis to predict the impact of non-synonymous mutations in a p...
Bashir, Sana; Shiraishi, Carlos S.H.; Yadró Garcia, Carlos A.; Henriques, Dora; Pinto, M. Alice; Abreu, Rui M.V.Non-synonymous mutations lead to amino acid substitutions within proteins, potentially affecting protein structure and function. While some mutations have a minimal impact on protein structure and function, others can alter their stability, conformation, and biological activity. Therefore, predicting how mutations affect proteins is important when uncovering the genetic basis of honey bee response to selective ...
A Computational Approach to Study Non-Synonymous Mutations
Bashir, Sana; Li, Fernanda; Shiraishi, Carlos S.H.; Yadró Garcia, Carlos A.; Barbosa, Daniela; Abreu, Rui M.V.; Rufino, José; Pinto, M. AliceNon-synonymous SNPs (Single Nucleotide Polymorphisms) result in amino acid substitutions within proteins. While some may have minimal impact on protein structure and function, others can significantly alter stability, conformation, and biological activity. Therefore, it is crucial to predict how SNP-induced changes affect protein structure and function. Here, we developed a novel pipeline that integrates bioinf...
Genetic variation of detoxification genes: from genes to proteins
Henriques, Dora; Li, Fernanda; Bashir, Sana; Quaresma, Andreia; Lopes, Ana Rita; Taliadoros, Demetris; Webster, Matthew; Shiraishi, Carlos S.H.Honey bees (Apis mellifera) are exposed to natural and synthetic xenobiotics, requiring genetic adaptations for survival. Several gene families have been implicated in insect pesticide resistance, including cytochrome P450s, glutathione-S-transferases (GSTs), esterases, and uridine diphosphate (UDP)-glycosyltransferases. This study investigates genetic variation in these detoxification gene families and predict...
Computational Insights into the Impact of NonSynonymous Mutations in the ABC Tr...
Bashir, Sana; Li, Fernanda; Shiraishi, Carlos S.H.; Younes, Sarra Bin; Yadró Garcia, Carlos A.; Barbosa, Daniela; Abreu, Rui M.V.; Rufino, JoséNon-synonymous mutations lead to amino acid substitutions that can affect a protein’s structure and function, thereby influencing biological processes such as detoxification. ATP-binding cassette (ABC) transporters (an important superfamily of detoxification genes) play a critical role in the efflux of toxic compounds in honey bees (Apis mellifera), essential for their survival in environments exposed to natura...
New trends from fungi secondary metabolism in the pharmaceutical industry
Calhelha, Ricardo C.; Shiraishi, Carlos S.H.; Ribeiro, Lúcia Marisa Maia; Carocho, Márcio; Abreu, Rui M.V.; Coutinho, Paula; Barros, LillianFungi 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 inte...
Evaluation of berberine nanoparticles as a strategy to modulate acetylcholinest...
Leimann, Fernanda Vitória; Souza, Luma Borges de; Oliveira, Byanca Pereira Moreira de; Rossi, Bruna Franzon; Silva, Patricia Sabino daResearchers 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 us...
Virtual screening of a library of natural compounds against COX-2 protein
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 ef...