Search Results - "Castro, Tarsila Gabriel"

Acetylation and phosphorylation processes modulate Tau’s binding to microtubules: A molecular dynamics study by Castro, Tarsila G., Ferreira, Tiago, Matamá, Teresa, Munteanu, Florentina-Daniela, Cavaco-Paulo, Artur

“…The microtubule-associated protein Tau has its normal function impaired when undergoing post-translational modifications. In this work, molecular modelling…”
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From groove binding to intercalation: unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA by Sánchez-González, Ángel, Castro, Tarsila G, Melle-Franco, Manuel, Gil, Adrià

“…Several antitumor drugs base their cytotoxicity on their capacity to intercalate between base pairs of DNA. Nevertheless, it has been established that the…”
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α-Chymotrypsin catalyses the synthesis of methotrexate oligomers by Noro, Jennifer, Castro, Tarsila G., Cavaco-Paulo, Artur, Silva, Carla

“…[Display omitted] •α-chymotrypsin-assisted synthesis of methotrexate oligomers;•Biosynthesis of oligomers up to 6 units;•Enzymatic oligomerization is reduced…”
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Hydration is not detrimental for Glycerol:Lactic acid deep eutectic mixtures by Rocha, Diana, Freitas, David S., Castro, Tarsila G., Noro, Jennifer, Cavaco-Paulo, Artur, Silva, Carla

“…[Display omitted] •The addition of water is not detrimental for Glycerol:Lactic acid deep eutectic mixtures.•Strong interactions between eutectic mixtures and…”
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Golgi α-mannosidase: opposing structures of Drosophila melanogaster and novel human model using molecular dynamics simulations and docking at different pHs by Drogalin, Artem, Monteiro, Luís S., Alves, Maria José, Castro, Tarsila G.

“…The search for Golgi α-mannosidase II (GMII) potent and specific inhibitors has been a focus of many studies for the past three decades since this enzyme is a…”
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Eutectic Mixtures As Green Solvents for Laccase-Catalyzed Reactions by Freitas, David S., Rocha, Diana, Noro, Jennifer, Castro, Tarsila G., Cavaco-Paulo, Artur, Silva, Carla

“…Laccases are powerful biocatalysts in the biotechnological field; however, the substrates’ limited solubility in the reaction media may hinder the oxidation…”
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Physicochemical Properties of New Silicone Alternatives Unraveled by Experimental and Molecular Modeling Techniques by Ferreira, Tiago, Rocha, Diana, Freitas, David, Noro, Jennifer, de Castro, Mariana, Roque, Catarina, Guimarães, Diana, Loureiro, Ana, Silva, Carla, Cavaco-Paulo, Artur, Castro, Tarsila G.

“…The cosmetic industry has recognized an increasing demand for environmentally sustainable solutions due to the classification of certain commonly used…”
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Golgi α-mannosidase: opposing structures of Drosophila melanogaster and novel human model using molecular dynamics simulations and docking at different pHs by Drogalin, Artem, Monteiro, Luís S., Alves, Maria José, Castro, Tarsila Gabriel

“…The search for Golgi α-mannosidase II (GMII) potent and specific inhibitors has been a focus of many studies for the past three decades since this enzyme is a…”
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Green Extraction of Cork Bioactive Compounds Using Natural Deep Eutectic Mixtures by Freitas, David S., Rocha, Diana, Castro, Tarsila G., Noro, Jennifer, Castro, Vânia I. B., Teixeira, Marta A., Reis, Rui L., Cavaco-Paulo, Artur, Silva, Carla

“…Quercus suber cork generates bioactive components, such as phenolic acids, terpenoids, and tannins, with excellent biological properties, including…”
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Synthesis of novel 2,9-disubstituted-6-morpholino purine derivatives assisted by virtual screening and modelling of class I PI3K isoforms by Lobo, Vítor, Rocha, Ashly, Castro, Tarsila Gabriel, Carvalho, M. Alice

“…The phosphatidylinositol-3 kinase (PI3K) pathway is one of the most frequently activated pathogenic signalling cascades in a wide variety of cancers. In the…”
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Degradation of ochratoxins A and B by lipases: A kinetic study unraveled by molecular modeling by Santos, Joana, Castro, Tarsila, Venâncio, Armando, Silva, Carla

“…Mycotoxins are toxic substances produced by fungi and, frequently, different mycotoxins cooccur in food commodities. Ochratoxin A (OTA) and Ochratoxin B (OTB)…”
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Addressing the Structural Organization of Silicone Alternatives in Formulations by Molecular Dynamics Simulations and a Novel Equilibration Protocol by Ferreira, Tiago, Loureiro, Ana, Noro, Jennifer, Cavaco-Paulo, Artur, Castro, Tarsila G

“…The world of cosmetics is an always-evolving field with constant updates on its formulation components. The current reality asks for an ever-increasing need…”
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Aryl-capped lysine-dehydroamino acid dipeptide supergelators as potential drug release systems by Oliveira, Carlos B. P., Pereira, Renato B., Pereira, David M., Hilliou, L., Castro, Tarsila Gabriel, Martins, J. A. R., Jervis, Peter John, Ferreira, Paula M. T.

“…Employing amino acids and peptides as molecular building blocks provides unique opportunities for generating supramolecular hydrogels, owing to their inherent…”
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Non-Canonical Amino Acids as Building Blocks for Peptidomimetics: Structure, Function, and Applications by Castro, Tarsila G, Melle-Franco, Manuel, Sousa, Cristina E A, Cavaco-Paulo, Artur, Marcos, João C

“…This review provides a fresh overview of non-canonical amino acids and their applications in the design of peptidomimetics. Non-canonical amino acids appear…”
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The structural properties of odorants modulate their association to human odorant binding protein by Castro, Tarsila Gabriel, Silva, C., Matamá, Maria Teresa Gonçalves Macedo, Cavaco-Paulo, Artur

“…The following are available online at https://www.mdpi.com/2218-273X/11/2/145/s1. Odorant molecules CAS identification are listed in Table S1. Statistical…”
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Mechanism of Hair Curling via Laccase-Assisted Tyrosine Grafting Using BSA as a Model Protein by Li, Yu, Su, Jing, G. Castro, Tarsila, Cavaco-Paulo, Artur

“…Commercial hair perming uses strong reducing agents and harms hair fiber's quality even human health. In this study, tyrosine is adopted as a cross-linking…”
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Electrostatics of tau protein by molecular dynamics by Castro, Tarsila Gabriel, Munteanu, Florentina-Daniela, Cavaco-Paulo, Artur

“…Tau is a microtubule-associated protein that promotes microtubule assembly and stability. This protein is implicated in several neurodegenerative diseases,…”
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Grafting of adipic anhydride to carbon nanotubes through a Diels-Alder cycloaddition/oxidation cascade reaction by Araújo, Rui Filipe, Proença, Maria Fernanda, Silva, Carlos Jorge, Castro, Tarsila G., Melle-Franco, Manuel, Paiva, Maria Conceição, Villar-Rodil, Silvia, Tascón, Juan Manuel D.

“…Different reactions have been reported for the successful functionalization of carbon nanotubes (CNT). The Diels-Alder cycloaddition is recognized as a…”
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The Structural Properties of Odorants Modulate Their Association to Human Odorant Binding Protein by Castro, Tarsila G, Silva, Carla, Matamá, Teresa, Cavaco-Paulo, Artur

“…The binding of known odorant molecules to the human odorant-binding protein (hOBP) was evaluated Docking experiments elucidate the preferable binding site and…”
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Unveiling the Role of Capping Groups in Naphthalene N-Capped Dehydrodipeptide Hydrogels by Vilaça, Helena, Carvalho, André, Castro, Tarsila, Castanheira, Elisabete M S, Hilliou, Loic, Hamley, Ian, Melle-Franco, Manuel, Ferreira, Paula M T, Martins, José A

“…Self-assembled peptide-based hydrogels are archetypical nanostructured materials with a plethora of foreseeable applications in nanomedicine and as…”
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