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Addressing the challenge of oligomerization in computational protein design
Silva, Diogo; Moreira, Pedro; Teixeira, Rita I.; Fernandes, Bárbara; Parada, Mariana; Vicente, João B.; Lousa, Diana; Soares, Cláudio M.Computational protein design is a field of research with potential to greatly impact areas such as drug development or enzyme technology, by combining knowledge-based and physics-based methods to design tailor-made proteins. This concept was introduced by David Baker with the development of Rosetta Commons. This is an extensive framework containing tools that enable protein design using physics-based scoring fu...
Computationally-designed miniproteins showing neutralization activity against S...
Moreira, Pedro Daniel Martins; Parada, Mariana; Fernandes, Bárbara; Buga, Carolina C.; Teixeira, Rita I.; Oliveira, Christine; Buckley, Stephen MichaelAs the COVID-19 pandemic demonstrated, the need for robust antiviral therapies against SARS-CoV-2 remains substantial. A promising strategy to meet this demand is through the development of proteins tailored for enhanced binding affinity to crucial viral targets, such as epitopes located on their fusion proteins. Among these targets is the Spike proteins receptor binding domain (RBD), which interacts with the h...
Antiviral proteins targeting Influenza A hemagglutinin: design, production and ...
Marques, Madalena C.; Moreira, Pedro; Teixeira, Rita I.; Alenquer, Marta; Amorim, Maria João; Soares, Cláudio M.; Vicente, João B.; Lousa, DianaIn recent years we have felt the devastating impact of viral pandemics, highlighting the need for preparation for future pandemics. Antiviral biologics, including small proteins that bind to and block viral targets, are promising therapeutic options that should be explored to increase pandemic preparedness. One of the viruses with high pandemic potential is influenza, the causative agent of flu. Despite being c...
A ShK-like domain from Steinernema carpocapsae with bioinsecticidal potential
Frias, Jorge; Toubarro, Duarte; Bjerga, Gro Elin Kjæreng; Puntervoll, Pål; Vicente, João B.; Reis, R. L.; Simões, NelsonEntomopathogenic nematodes are used as biological control agents against a broad range of insect pests. We ascribed the pathogenicity of these organisms to the excretory/secretory products (ESP) released by the infective nematode. Our group characterized different virulence factors produced by <i>Steinernema carpocapsae</i> that underlie its success as an insect pathogen. A novel ShK-like peptide (ScK1) from th...
Cysteine as a Multifaceted Player in Kidney, the Cysteine-Related Thiolome and ...
Correia, Maria João; Pimpão, António B.; Fernandes, Dalila G.F.; Morello, Judit; Sequeira, Catarina O.; Calado, Joaquim; Antunes, Alexandra M.M.In this review encouraged by original data, we first provided in vivo evidence that the kidney, comparative to the liver or brain, is an organ particularly rich in cysteine. In the kidney, the total availability of cysteine was higher in cortex tissue than in the medulla and distributed in free reduced, free oxidized and protein-bound fractions (in descending order). Next, we provided a comprehensive integrated...
Molecular determinants of the SARS-CoV-2 fusion peptide activity
Buga, Carolina C.; Valério, Mariana; Balola, Alexandra; Ferreira, Ana S.; Sequeira, Ana Marta Fernandes Tavares; Rocha, Miguel; Vicente, João B.The COVID-19 pandemic, caused by the SARS-CoV-2 virus, emerged in late 2019 and quickly spread worldwide, resulting in over 125 million infections and 2.7 million deaths as of March 2021 accordingly to the World Health Organization. Despite the great advances achieved by the scientific community in providing crucial information about this virus, we are still far from completely understanding it. SARS-CoV-2 is a...
Modulation of Human Phenylalanine Hydroxylase by 3-Hydroxyquinolin-2(1H)-One De...
Lopes, Raquel R.; Tomé, Catarina S.; Russo, Roberto; Paterna, Roberta; Leandro, João; Candeias, Nuno R.; Gonçalves, Lídia; Teixeira, MiguelPhenylketonuria (PKU) is a genetic disease caused by deficient activity of human phenylalanine hydroxylase (hPAH) that, when untreated, can lead to severe psychomotor impairment. Protein misfolding is recognized as the main underlying pathogenic mechanism of PKU. Therefore, the use of stabilizers of protein structure and/or activity is an attractive therapeutic strategy for this condition. Here, we report that ...
Targeting Glutathione and Cystathionine β-Synthase in Ovarian Cancer Treatment ...
Santos, Inês; Ramos, Cristiano; Mendes, Cindy; Sequeira, Catarina O.; Tomé, Catarina S.; Fernandes, Dalila G. H.; Mota, Pedro; Pires, Rita F.Ovarian cancer is the main cause of death from gynecological cancer, with its poor prognosis mainly related to late diagnosis and chemoresistance (acquired or intrinsic) to conventional alkylating and reactive oxygen species (ROS)-generating drugs. We and others reported that the availability of cysteine and glutathione (GSH) impacts the mechanisms of resistance to carboplatin in ovarian cancer. Different playe...
Desulfovibrio gigas flavodiiron protein affords protection against nitrosative ...
Rodrigues, Rute; Vicente, João B.; Félix, Rute; Oliveira, Solange; Teixeira, Miguel; Rodrigues-Pousada, ClaudinaAbstract: Desulfovibrio gigas flavodiiron protein (FDP), rubredoxin: oxygen oxidoreductase (ROO), was proposed to be the terminal oxidase of a soluble electron transfer chain coupling NADH oxidation to oxygen reduction. However, several members from the FDP family, to which ROO belongs, revealed nitric oxide (NO) reductase activity. Therefore, the protection afforded by ROO against the cytotoxic effects of NO w...