Selected Publications

Cordeiro, M.M.; Filipe, H.A.L.; Santos, P.D.; Samelo, J.; Ramalho, J.P.P.; Loura, L.M.S.; Moreno, M.J. (2023) Interaction of Hoechst 33342 with POPC Membranes at Different pH Values. Molecules 28, 5640, DOI:10.3390/molecules28155640

Filipe, H.A.L.; Moreira, A.F.; Miguel, S.P.; Ribeiro, M.P.; Coutinho, P. (2023) Interaction of Near-Infrared (NIR)-Light Responsive Probes with Lipid Membranes: A Combined Simulation and Experimental Study. Pharmaceutics 15, 1853, DOI:10.3390/pharmaceutics15071853

Filipe, H.A.L.; Loura, L.M.S.; Moreno, M.J. (2023) Permeation of a Homologous Series of NBD-Labeled Fatty Amines through Lipid Bilayers: A Molecular Dynamics Study. Membranes 13, 551, DOI:10.3390/membranes13060551

Oliveira, A.C.; Filipe, H.A.L.; Loura, L.M.S. (2023) Fluorescent Probes cis- and trans-Parinaric Acids in Fluid and Gel Lipid Bilayers: A Molecular Dynamics Study. Molecules 28, 2241, DOI:10.3390/molecules28052241

Moreno, M.J.; Salvador, A. (2023) Ligand’s Partition to the Lipid Bilayer Should Be Accounted for When Estimating Their Affinity to Proteins. Molecules 28, 3136, DOI:10.3390/molecules28073136

Moreno, M.J.; Filipe, H.A.L.; Cunha, S.V.P.; Ramos, C.V.; Martins, P.A.T.; Abel, B.; Loura, L.M.S.; Ambudkar, S.V. (2023) Interaction of a Homologous Series of Amphiphiles with P-glycoprotein in a Membrane Environment. Contributions of Polar and Non-Polar Interactions, Pharmaceutics 15, 174, DOI:10.3390/pharmaceutics15010174

Coelho, C.D.F.; Jesus, J.A.; Vaz, D.C.; Lagoa, R.; Moreno, M.J. (2022) BSA-PEG Hydrogel: A Novel Protein-Ligand Binding 3D Matrix, Medical Sciences Forum 11, 1, DOI:10.3390/BiTaP-12878

Cordeiro, M.M.; Salvador, A.; Moreno, M.J.(2022) Calculation of Permeability Coefficients from Solute Equilibration Dynamics: An Assessment of Various Methods, Membranes 12, 254, DOI:10.3390/membranes12030254

Magalhaes, N.; Simões, G.M.; Ramos, C.; Samelo, J.; Oliveira, A.C.; Filipe, H.A.L.; Ramalho, J.P.P.; Moreno, M.J.; Loura, L.M.S. (2022) Interactions between Rhodamine Dyes and Model Membrane Systems—Insights from Molecular Dynamics Simulations, Molecules 27, 1420, DOI:10.3390/molecules27041420

Moreno, M.J.; Loura, L.M.S.; Martins, J.; Salvador, A.; Velazquez-Campoy, A. (2022) Analysis of the Equilibrium Distribution of Ligands in Heterogeneous Media - Approaches and Pitfalls, International Journal of Molecular Sciences 23, 9757, DOI:10.3390/ijms23179757

Oliveira, A.C.; Filipe, H.A.L.; Ramalho, J.P.P.; Salvador, A.; Geraldes, C.F.G.C.; Moreno, M.J.; Loura, L.M.S. (2022) Modeling Gd3+ Complexes for Molecular Dynamics Simulations: Toward a Rational Optimization of MRI Contrast Agents, Inorganic Chemistry 61, 11837, DOI:10.1021/acs.inorgchem.2c01597

Pires, C.L.; Nascimento, S.F.; Rodrigues, E.T.; Godinho, L.P.; Churro, C.; Pardal, M.A.; Moreno, M.J. (2022) Bioavailability and Biotransformation of Paralytic Shellfish Toxins Assessed by Permeability Assays Using Caco-2 Monolayers, Medical Sciences Forum 11, 11, DOI:10.3390/BiTaP-12880

Pires, C.L.; Silva, I.M.V.; Coimbra, M.A.; Moreno, M.J.; Coreta-Gomes, F. (2022) Effect of Coffee on the Bioavailability of Sterols, Foods 11, DOI:10.3390/foods11192935

Primitivo, M.J.; Neves, M.; Pires, C.L.; Cruz, P. F.; Brito, C.; Rodrigues, A.C.; de Carvalho, C.C.C.R.; Mortimer, M.M.; Moreno, M.J.; Brito, R.M.M.; Taylor, E.J.; Millson, S.H.; Reboredo, F.; Jorge Campos, M.; Vaz, D.C.; Ribeiro, V.S. (2022) Edible flowers of Helichrysum italicum: Composition, nutritive value, and bioactivities, Food Research International 157, 111399, DOI:org/10.1016/j.foodres.2022.111399

Ramos, C.V.; Samelo, J.; Martins, P.A.T.; Moreno, M.J. (2022) Protein Quantification in Complex Matrices, J. Chem. Educ. 99, 1488, DOI:10.1021/acs.jchemed.2c00109

Silva, I., Machado, F., Moreno, M., Nunes, C., Coimbra, M., and Coreta-Gomes, F. (2021) Polysaccharide Structures and Their Hypocholesterolemic PoTential. Molecules 26, 4559 DOI: 10.3390/molecules26154559

Rodrigues, E., Nascimento, S., Pires, C., Godinho, L., Churro, C., Moreno, M., and Pardal, M. (2021) Determination of intestinal absorption of the paralytic shellfish toxin GTX-5 using the Caco-2 human cell model. Environmental Science and Pollution Research DOI: 10.1007/s11356-021-15342-y

Abreu, R., Ramos, C., Becher, C., Lino, M., Jesus, C., Costa Martins, P., Martins, P., Moreno, M., Fernandes, H., and Ferreira, L. (2021) Exogenous loading of miRNAs into small extracellular vesicles. Journal of Extracellular Vesicles 10 DOI: 10.1002/jev2.12111

Pereira, D., Silva, A., Martins, P., Piedade, A., Martynowych, D., Veysset, D., Moreno, M., Serpa, C., Nelson, K., and Arnaut, L. (2021) Imaging of photoacoustic-mediated permeabilization of giant unilamellar vesicles (GUVs). Scientific Reports 11 DOI: 10.1038/s41598-021-82140-4

Moreno, M., Teles Martins, P., Bernardino, E., Abel, B., and Ambudkar, S. (2021) Characterization of the Lipidome and Biophysical Properties of Membranes from High Five Insect Cells Expressing Mouse P-Glycoprotein. Biomolecules 11, 426 DOI: 10.3390/biom11030426

Cunha, S., Filipe, H., Ramos, C., Martins, P., Abel, B., Ambudkar, S., Loura, L., and Joao Moreno, M. (2021) Interaction of a Homologous Series of Amphiphiles with P-Glycoprotein Containing Membranes. Biophysical Journal 120, 43a DOI: 10.1016/j.bpj.2020.11.508

Cardoso, R., Martins, P., Ramos, C., Cordeiro, M., Leote, R., Razi Naqvi, K., Vaz, W., and Moreno, M. (2020) Effect of dipole moment on amphiphile solubility and partition into liquid ordered and liquid disordered phases in lipid bilayers. Biochimica et Biophysica Acta (BBA) - Biomembranes 1862, 183157 DOI: 10.1016/j.bbamem.2019.183157

Filipe, H., Moreno, M., and Loura, L. (2020) The Secret Lives of Fluorescent Membrane Probes as Revealed by Molecular Dynamics Simulations. Molecules 25, 3424 DOI: 10.3390/molecules25153424

Coreta-Gomes, F., Lopes, G., Passos, C., Vaz, I., Machado, F., Geraldes, C., Moreno, M., Nyström, L., and Coimbra, M. (2020) In Vitro Hypocholesterolemic Effect of Coffee Compounds. Nutrients 12, 437 DOI: 10.3390/nu12020437

Neves, M., Filipe, H., Reis, R., Prates Ramalho, J., Coreta-Gomes, F., Moreno, M., and Loura, L. (2019) Interaction of Bile Salts With Lipid Bilayers: An Atomistic Molecular Dynamics Study. Frontiers in Physiology 10 DOI: 10.3389/fphys.2019.00393

Filipe, H. A. L.; Javanainen, M.; Salvador, A.; Galvão, A. M.; Vattulainen, I.; Loura, L. M. S.; Moreno, M. J., Quantitative Assessment of Methods Used To Obtain Rate Constants from Molecular Dynamics Simulations—Translocation of Cholesterol across Lipid Bilayers; J. Chem. Theory Comput. 2018, 14 (7), 3840-3848. DOI: 10.1021/acs.jctc.8b00150

Hugo A. L. Filipe, Carla Sousa, Joaquim T. Marquês, Diogo Vila-Viçosa, António de Granada Flor, Ana S. Viana, M. Soledade C. S. Santos, Miguel Machuqueiro, Rodrigo F. M. de Almeida; Differential targeting of membrane lipid domains by caffeic acid and its ester derivatives; Free Radical Biol. Med. 2018, 115, 232-245. DOI: 10.1016/j.freeradbiomed.2017.12.002

Samelo, J.; Mora, M. J.; Granero, G. E.; Moreno, M. J., Partition of Amphiphilic Molecules to Lipid Bilayers by ITC: Low-Affinity Solutes. ACS Omega 2017, 2 (10), 6863-6869. DOI: 10.1021/acsomega.7b01145

do Canto, A. M. T. M.; Robalo, J. R.; Santos, P. D.; Carvalho, A. J. P.; Ramalho, J. P. P.; Loura, L. M. S., Diphenylhexatriene membrane probes DPH and TMA-DPH: A comparative molecular dynamics simulation study. Biochim. Biophys. Acta, Biomembr. 2016, 1858 (11), 2647-2661. DOI: 10.1016/j.bbamem.2016.07.013

Coreta-Gomes, F. M.; Vaz, W. L. C.; Wasielewski, E.; Geraldes, C. F. G.; Moreno, M. J., Quantification of Cholesterol Solubilized in Dietary Micelles: Dependence on Human Bile Salt Variability and the Presence of Dietary Food Ingredients. Langmuir 2016, 32 (18), 4564-4574. DOI: 10.1021/acs.langmuir.6b00723

Amaro, M.; Filipe, H. A. L.; Prates Ramalho, J. P.; Hof, M.; Loura, L. M. S., Fluorescence of nitrobenzoxadiazole (NBD)-labeled lipids in model membranes is connected not to lipid mobility but to probe location. Phys. Chem. Chem. Phys. 2016, 18 (10), 7042-7054. DOI: 10.1039/C5CP05238F

Filipe, H. A. L.; Bowman, D.; Palmeira, T.; Cardoso, R. M. S.; Loura, L. M. S.; Moreno, M. J., Interaction of NBD-labelled fatty amines with liquid-ordered membranes: a combined molecular dynamics simulation and fluorescence spectroscopy study. Phys. Chem. Chem. Phys. 2015, 17 (41), 27534-27547. DOI: 10.1039/C5CP04191K

Estronca, L. M. B. B., H. A. L. Filipe, A. Salvador, M. J. Moreno, W. L. C. Vaz. (2014). "Homeostasis of free cholesterol in the blood: a preliminary evaluation and modeling of its passive transport". J. Lipid Res. 55:1033-1043. DOI: 10.1194/jlr.M043067

Filipe, H. A. L., A. Salvador, J. M. Silvestre, W. L. C. Vaz, M. J. Moreno. (2014). "Beyond Overton's Rule: Quantitative Modeling of Passive Permeation through Tight Cell Monolayers". Mol. Pharm. In press. DOI: 10.1021/mp500437e

Suarez-Germa, C., J. Hernandez-Borrell, M. Prieto, L. M. S. Loura. (2014). "Modeling FRET to investigate the selectivity of lactose permease of Escherichia coli for lipids". Mol. Membr. Biol. 31:120-130. DOI: 10.3109/09687688.2014.915351

do Canto, A. M. T. M., A. J. P. Carvalho, J. P. P. Ramalho, L. M. S. Loura. (2013) "Effect of amphipathic HIV fusion inhibitor peptides on POPC and POPC/cholesterol membrane properties: a molecular simulation study". Int. J. Mol. Sci. 14:14724-14743. DOI: 10.3390/ijms140714724

Robalo, J. R., A. M. T. Martins do Canto, A. J. P. Carvalho, J. P. P. Ramalho, L. M. S. Loura. (2013). "Behavior of fluorescent cholesterol analogues dehydroergosterol and cholestatrienol in lipid bilayers: a molecular dynamics study". J. Phys. Chem. B 117, 5806-5819. DOI: 10.1021/jp312026u

Cabre, E. J., L. M. S. Loura, A. Fedorov, J. Perez-Gil, and M. Prieto. (2012). "Topology and lipid selectivity of pulmonary surfactant protein SP-B in membranes: Answers from fluorescence". Biochim. Biophys. Acta-Biomembr. 1818:1717-1725. DOI: 10.1016/j.bbamem.2012.03.008

Loura, L. M. S. (2012). "Simple Estimation of Forster Resonance Energy Transfer (FRET) Orientation Factor Distribution in Membranes". Int. J. Mol. Sci. 13:15252-15270. DOI: 10.3390/ijms131115252

Martins, P. T., A. Velazquez-Campoy, W. L. C. Vaz, R. M. S. Cardoso, J. Valerio, and M. J. Moreno. (2012). "Kinetics and Thermodynamics of Chlorpromazine Interaction with Lipid Bilayers: Effect of Charge and Cholesterol". J. Am. Chem. Soc. 134:4184-4195. DOI: 10.1021/ja209917q

Loura, L. M. S., and J. P. P. Ramalho. (2011). "Recent Developments in Molecular Dynamics Simulations of Fluorescent Membrane Probes". Molecules 16:5437-5452. DOI: 10.3390/molecules16075437

Moreno, M. J., M. Bastos, and A. Velazquez-Campoy. (2010). "Partition of amphiphilic molecules to lipid bilayers by ITC". Anal. Biochem. 399:44-47. DOI: 10.1016/j.ab.2009.11.015

Loura, L. M. S., M. Prieto, and F. Fernandes. (2010). "Quantification of protein-lipid selectivity using FRET". Eur. Biophys. J. 39:565-578. DOI: 10.1007/s00249-010-0580-4

Estronca, L. M. B. B., M. J. Moreno, J. A. N. Laranjinha, L. M. Almeida, and W. L. C. Vaz. (2005). "Kinetics and thermodynamics of lipid amphiphile exchange between lipoproteins and albumin in serum". Biophys. J. 88:557-565. DOI: 10.1529/biophysj.104.047050