Search Results - "G. Castro, Tarsila"

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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Hofmeister effects on protein stability are dependent on the nature of the unfolded state by Ribeiro, Sara S, Castro, Tarsila G, Gomes, Cláudio M, Marcos, João C

“…The interpretation of a salt's effect on protein stability traditionally discriminates low concentration regimes (<0.3 M), dominated by electrostatic forces,…”
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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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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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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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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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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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Solvent‐free synthesis of hydrophobic and amphiphilic esters using a chemically modified lipase from Thermomyces lanuginosus: a comparative study with native and immobilized forms by Roque, Catarina S., Castro, Mariana, Castro, Tarsila G., Silva, Carla, Cavaco‐Paulo, Artur, Noro, Jennifer

“…Using lipases to catalyze the synthesis of the most differentiated type of compounds remains one of the major challenges among scientists. Seeking more…”
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The effect of high-energy environments on the structure of laccase-polymerized poly(catechol) by Su, Jing, Castro, Tarsila G., Noro, Jennifer, Fu, Jiajia, Wang, Qiang, Silva, Carla, Cavaco-Paulo, Artur

“…[Display omitted] •Laccase-assisted polymerization of catechol using high-energy environments.•High-energy environments improve polymerization yield.•Heating…”
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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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Catalytic activation of esterases by PEGylation for polyester synthesis by Noro, Jennifer, Castro, T., Gonçalves, Filipa, Ribeiro, Artur, Cavaco-Paulo, Artur, Silva, Carla

“…In this work we explored PEGylation as an efficient strategy to improve esterases catalytic performance. For this, we PEGylated three esterases, namely lipase…”
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OBP fused with cell-penetrating peptides promotes liposomal transduction by Gonçalves, Filipa, Castro, Tarsila G., Nogueira, Eugénia, Pires, Ricardo, Silva, Carla, Ribeiro, Artur, Cavaco-Paulo, Artur

“…[Display omitted] •Engineered OBPs for molecules transport.•New methodology for the evaluation of 1-AMA transduction.•Liposomal transduction of 1-AMA through…”
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Two Engineered OBPs with opposite temperature-dependent affinities towards 1-aminoanthracene by Gonçalves, Filipa Daniela Gomes, Castro, T., Azóia, Nuno G., Ribeiro, Artur, Silva, Carla Manuela Pereira Marinho da, Cavaco-Paulo, Artur

“…Engineered odorant-binding proteins (OBPs) display tunable binding affinities triggered by temperature alterations. We designed and produced two engineered…”
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Modeling the secondary structures of the peptaibols antiamoebin I and zervamicin II modified with D-amino acids and proline analogues by Castro, Tarsila G., Micaêlo, Nuno M., Melle-Franco, Manuel

“…Antiamoebin I (AAM-I) and zervamicin II (Zrv-IIB) are peptaibols that exert antibiotic activity through the insertion/disruption of cell membranes. In this…”
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Conformational and Thermodynamic Properties of Non-Canonical α,α-Dialkyl Glycines in the Peptaibol Alamethicin: Molecular Dynamics Studies by Castro, Tarsila G, Micaêlo, Nuno M

“…In this work, we investigate the structure, dynamic and thermodynamic properties of noncanonical disubstituted amino acids (α,α-dialkyl glycines), also known…”
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Modeling of Peptaibol Analogues Incorporating Nonpolar α,α-Dialkyl Glycines Shows Improved α‑Helical Preorganization and Spontaneous Membrane Permeation by Castro, Tarsila G, Micaêlo, Nuno M

“…In this study, we investigate the effect of nine noncanonical α,α-dialkyl glycines on the structure, dynamics, and membrane permeation properties of a small…”
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