List of works - Daniel Dos Santos

A tryptophanol-derived oxazolopiperidone lactam is cytotoxic against tumors via inhibition of p53 interaction with murine double minute proteins.

scientific article published on 23 March 2015

Assessing the Stabilization of P-Glycoprotein's Nucleotide-Binding Domains by the Linker, Using Molecular Dynamics.

scientific article published on 3 June 2013

Do adsorbed drugs onto P-glycoprotein influence its efflux capability?

scientific article

Do drugs have access to the P-glycoprotein drug-binding pocket through gates?

scientific article

Enhancing Macrocyclic Diterpenes as Multidrug-Resistance Reversers: Structure–Activity Studies on Jolkinol D Derivatives ⬇️

scientific article published on January 30, 2013

Exploring the Molecular Basis of Qo bc1 Complex Inhibitors Activity to Find Novel Antimalarials Hits.

scientific article published on 20 June 2013

Indolo[3,2-c]quinoline G-quadruplex stabilizers: a structural analysis of binding to the human telomeric G-quadruplex

scientific article published on 26 March 2015

Insights on P-Glycoprotein's Efflux Mechanism Obtained by Molecular Dynamics Simulations.

scientific article

Interfacial excess free energies of solid-liquid interfaces by molecular dynamics simulation and thermodynamic integration

scientific article published on 16 March 2009

Modelling the behavior of 5-aminolevulinic acid and its alkyl esters in a lipid bilayer

article

Molecular Dynamics Study of the Gold/Ionic Liquids Interface

scientific article published on 10 July 2015

Molecular docking characterizes substrate-binding sites and efflux modulation mechanisms within P-glycoprotein

scientific article published on 10 July 2013

Molecular dynamics study of the calcium ion transfer across the water/nitrobenzene interface

scientific article

Optimizing the flavanone core toward new selective nitrogen-containing modulators of ABC transporters.

scientific article published on 23 March 2018

Optimizing the macrocyclic diterpenic core toward the reversal of multidrug resistance in cancer

scientific article published on April 2016

Oxazoloisoindolinones with in vitro antitumor activity selectively activate a p53-pathway through potential inhibition of the p53-MDM2 interaction.

scientific article published on 13 October 2014

P-glycoprotein and membrane roles in multidrug resistance.

scientific article published on June 2015

Probing the Azaaurone Scaffold against the Hepatic and Erythrocytic Stages of Malaria Parasites

scientific article

Probing the aurone scaffold against Plasmodium falciparum: design, synthesis and antimalarial activity.

scientific article

Properties and behaviour of tetracyclic allopsoralen derivatives inside a DPPC lipid bilayer model

scientific article published on 21 April 2011

Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study.

scientific article published on 24 May 2010

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.

scientific article published on 19 August 2013

Terpenoids from Euphorbia pedroi as Multidrug-Resistance Reversers

scientific article published on 10 September 2018

Toward a Better Pharmacophore Description of P-Glycoprotein Modulators, Based on Macrocyclic Diterpenes from Euphorbia Species

scientific article published on 09 June 2011

List of works by Daniel Dos Santos

A tryptophanol-derived oxazolopiperidone lactam is cytotoxic against tumors via inhibition of p53 interaction with murine double minute proteins.

Assessing the Stabilization of P-Glycoprotein's Nucleotide-Binding Domains by the Linker, Using Molecular Dynamics.

Do adsorbed drugs onto P-glycoprotein influence its efflux capability?

Do drugs have access to the P-glycoprotein drug-binding pocket through gates?

Enhancing Macrocyclic Diterpenes as Multidrug-Resistance Reversers: Structure–Activity Studies on Jolkinol D Derivatives ⬇️

Exploring the Molecular Basis of Qo bc1 Complex Inhibitors Activity to Find Novel Antimalarials Hits.

Indolo[3,2-c]quinoline G-quadruplex stabilizers: a structural analysis of binding to the human telomeric G-quadruplex

Insights on P-Glycoprotein's Efflux Mechanism Obtained by Molecular Dynamics Simulations.

Interfacial excess free energies of solid-liquid interfaces by molecular dynamics simulation and thermodynamic integration

Modelling the behavior of 5-aminolevulinic acid and its alkyl esters in a lipid bilayer

Molecular Dynamics Study of the Gold/Ionic Liquids Interface

Molecular docking characterizes substrate-binding sites and efflux modulation mechanisms within P-glycoprotein

Molecular dynamics study of the calcium ion transfer across the water/nitrobenzene interface

Optimizing the flavanone core toward new selective nitrogen-containing modulators of ABC transporters.

Optimizing the macrocyclic diterpenic core toward the reversal of multidrug resistance in cancer

Oxazoloisoindolinones with in vitro antitumor activity selectively activate a p53-pathway through potential inhibition of the p53-MDM2 interaction.

P-glycoprotein and membrane roles in multidrug resistance.

Probing the Azaaurone Scaffold against the Hepatic and Erythrocytic Stages of Malaria Parasites

Probing the aurone scaffold against Plasmodium falciparum: design, synthesis and antimalarial activity.

Properties and behaviour of tetracyclic allopsoralen derivatives inside a DPPC lipid bilayer model

Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study.

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.

Terpenoids from Euphorbia pedroi as Multidrug-Resistance Reversers

Toward a Better Pharmacophore Description of P-Glycoprotein Modulators, Based on Macrocyclic Diterpenes from Euphorbia Species