| Molecular docking characterizes substrate-binding sites and efflux modulation mechanisms within P-glycoprotein. RJ Ferreira, MJU Ferreira, DJVA dos Santos Journal of chemical information and modeling 53 (7), 1747-1760, 2013 | 174 | 2013 |
| Insights on P-glycoprotein’s efflux mechanism obtained by molecular dynamics simulations RJ Ferreira, MJU Ferreira, DJVA Dos Santos Journal of Chemical Theory and Computation 8 (6), 1853-1864, 2012 | 135 | 2012 |
| Interfacial excess free energies of solid–liquid interfaces by molecular dynamics simulation and thermodynamic integration F Leroy, DJVA Dos Santos, F Müller‐Plathe Macromolecular rapid communications 30 (9‐10), 864-870, 2009 | 101 | 2009 |
| P-glycoprotein and membrane roles in multidrug resistance RJ Ferreira, DJVA dos Santos, MJU Ferreira Future medicinal chemistry 7 (7), 929-946, 2015 | 87 | 2015 |
| Probing the aurone scaffold against Plasmodium falciparum: Design, synthesis and antimalarial activity MP Carrasco, AS Newton, L Gonçalves, A Góis, M Machado, J Gut, ... European journal of medicinal chemistry 80, 523-534, 2014 | 86 | 2014 |
| Incorporation of basic side chains into cryptolepine scaffold: Structure− antimalarial activity relationships and mechanistic studies J Lavrado, GG Cabal, M Prudêncio, MM Mota, J Gut, PJ Rosenthal, ... Journal of Medicinal Chemistry 54 (3), 734-750, 2011 | 75 | 2011 |
| Enhancing macrocyclic diterpenes as multidrug-resistance reversers: structure–activity studies on jolkinol D derivatives M Reis, RJ Ferreira, MMM Santos, DJVA dos Santos, J Molnár, ... Journal of Medicinal Chemistry 56 (3), 748-760, 2013 | 72 | 2013 |
| Toward a Better Pharmacophore Description of P-Glycoprotein Modulators, Based on Macrocyclic Diterpenes from Euphorbia Species RJ Ferreira, DJVA dos Santos, MJU Ferreira, RC Guedes Journal of chemical information and modeling 51 (6), 1315-1324, 2011 | 65 | 2011 |
| Structure-function relationships in ABCG2: insights from molecular dynamics simulations and molecular docking studies RJ Ferreira, CA Bonito, MNDS Cordeiro, MJU Ferreira, DJVA Dos Santos Scientific reports 7 (1), 15534, 2017 | 61 | 2017 |
| Oxazoloisoindolinones with in vitro antitumor activity selectively activate a p53-pathway through potential inhibition of the p53–MDM2 interaction J Soares, NAL Pereira, Â Monteiro, M Leao, C Bessa, DJVA Dos Santos, ... European Journal of Pharmaceutical Sciences 66, 138-147, 2015 | 52 | 2015 |
| Synthesis, G‐Quadruplex Stabilisation, Docking Studies, and Effect on Cancer Cells of Indolo[3,2‐b]quinolines with One, Two, or Three Basic Side Chains J Lavrado, PM Borralho, SA Ohnmacht, RE Castro, CMP Rodrigues, ... ChemMedChem 8 (10), 1648-1661, 2013 | 51 | 2013 |
| Consistency of ion adsorption and excess surface tension in molecular dynamics simulations of aqueous salt solutions DJVA dos Santos, F Muller-Plathe, VC Weiss The Journal of Physical Chemistry C 112 (49), 19431-19442, 2008 | 50 | 2008 |
| A tryptophanol-derived oxazolopiperidone lactam is cytotoxic against tumors via inhibition of p53 interaction with murine double minute proteins J Soares, L Raimundo, NAL Pereira, DJVA dos Santos, M Pérez, ... Pharmacological Research 95, 42-52, 2015 | 49 | 2015 |
| Terpenoids from Euphorbia pedroi as Multidrug-Resistance Reversers RJ Ferreira, A Kincses, M Gajdács, G Spengler, DJVA Dos Santos, ... Journal of natural products 81 (9), 2032-2040, 2018 | 46 | 2018 |
| Permeability of psoralen derivatives in lipid membranes DJVA dos Santos, LA Eriksson Biophysical journal 91 (7), 2464-2474, 2006 | 41 | 2006 |
| Molecular dynamics study of the gold/ionic liquids interface ESC Ferreira, CM Pereira, MNDS Cordeiro, DJVA dos Santos The Journal of Physical Chemistry B 119 (30), 9883-9892, 2015 | 39 | 2015 |
| Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure–activity study AS Newton, PMC Glória, LM Gonçalves, DJVA dos Santos, R Moreira, ... European journal of medicinal chemistry 45 (9), 3858-3863, 2010 | 39 | 2010 |
| Properties and permeability of hypericin and brominated hypericin in lipid membranes ESE Eriksson, DJVA Santos, RC Guedes, LA Eriksson Journal of Chemical Theory and Computation 5 (12), 3139-3149, 2009 | 35 | 2009 |
| Reversing cancer multidrug resistance: insights into the efflux by ABC transports from in silico studies RJ Ferreira, MJU Ferreira, DJVA dos Santos Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (1), 27-55, 2015 | 34 | 2015 |
| Design, synthesis and structure–activity relationships of (1H-pyridin-4-ylidene) amines as potential antimalarials T Rodrigues, RC Guedes, DJVA dos Santos, M Carrasco, J Gut, ... Bioorganic & medicinal chemistry letters 19 (13), 3476-3480, 2009 | 34 | 2009 |
Maria José Umbelino FerreiraFaculty of Pharmacy, Universidade de Lisboa, Research Institute for Medicines (iMed.ULisboa)Verified email at ff.ulisboa.pt
