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Natural and synthetic naphthoquinones active against Trypanosoma cruzi: an initial step towards new drugs for Chagas disease

Current medicinal chemistry, 2011, Vol.18 (1), p.144-161

2011

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Mode of action of p-quinone derivatives with trypanocidal activity studied by experimental and in silico models

European journal of medicinal chemistry, 2023-01, Vol.246, p.114926-114926, Article 114926

2023

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Combined CoMFA and CoMSIA 3D-QSAR study of benzimidazole and benzothiophene derivatives with selective affinity for the CB2 cannabinoid receptor

European journal of pharmaceutical sciences, 2017-04, Vol.101, p.1-10

2017

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New aryloxy-quinone derivatives as potential anti-Chagasic agents: synthesis, trypanosomicidal activity, electrochemical properties, pharmacophore elucidation and 3D-QSAR analysis

RSC advances, 2015-07, Vol.5 (80), p.65153-65166

2015

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Structural analysis and molecular docking of trypanocidal aryloxy-quinones in trypanothione and glutathione reductases: a comparison with biochemical data

Journal of biomolecular structure & dynamics, 2017-06, Vol.35 (8), p.1785-1803

2017

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7-(tert-Butyl-diphenyl-sil-yloxy)-2,2-dimethyl-1-benzofuran-3(2H)-one

Acta crystallographica. Section E, Structure reports online, 2011-02, Vol.67 (Pt 2), p.o375-o375

2011

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Combined molecular modelling and 3D‐QSAR study for understanding the inhibition of NQO1 by heterocyclic quinone derivatives

Chemical biology & drug design, 2018-01, Vol.91 (1), p.29-38

2018

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NL MIND-BEST: A web server for ligands and proteins discovery—Theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum

Journal of theoretical biology, 2011-05, Vol.276 (1), p.229-249

2011

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Cellular and molecular mechanisms of motor neuron death in amyotrophic lateral sclerosis

Ricardo Tapia

2015

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Novel 1-(1-benzyl-1H-indol-3-yl)- N,N,N-trimethylmethanaminium iodides are competitive antagonists for the human alpha 4 beta 2 and alpha 7 nicotinic acetylcholine receptors

MedChemComm, 2013-08, Vol.4 (8), p.1166-1170

2013

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6,9-Dimethoxy-3,4-dihydro-1H-1,4-oxazino[4,3-a]indol-1-one

Acta crystallographica. Section E, Structure reports online, 2011-02, Vol.67 (2), p.o318-o318

2011

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Recycled ionic liquid vs. deep eutectic solvent in cellulose nanocrystals production: Characterization, techno-economic analysis, and life cycle assessment

Journal of cleaner production, 2024-09, Vol.472, p.143461, Article 143461

2024

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13C NMR studies of heterocyclic naphtho- and anthraquinones. Deshielding effect on the carbonyl carbon with methyl substitution

Magnetic resonance in chemistry, 2008-02, Vol.46 (2), p.191-194

2008

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Protic ionic liquids based on anionic clusters ([Hmim][(HSO4)(H2SO4]x) with (x = 0, 1, and 2), to produce nanocellulose (CNC)

Journal of molecular liquids, 2022-12, Vol.367, p.120422, Article 120422

2022

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Effect of the nature of the nucleophile and solvent on an S N Ar reaction

New journal of chemistry, 2018, Vol.42 (1), p.260-264

2018

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Effect of the nature of the nucleophile and solvent on an SNAr reactionElectronic supplementary information (ESI) available: Copies of 1H and 13C spectra, rate constant values and experimental conditions. See DOI: 10.1039/c7nj03212a

2017-12

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Dual function of amino acid ionic liquids (Bmim[AA]) on the degradation of the organophosphorus pesticide, Paraoxon®Electronic supplementary information (ESI) available. See DOI: 10.1039/c8ob01928b

2018-10

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Experimental Analyses Emphasize the Stability of the Meisenheimer Complex in a S N Ar Reaction Toward Trends in Reaction Pathways

Frontiers in chemistry, 2020, Vol.8, p.583

2020

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Gutmann's Donor Numbers Correctly Assess the Effect of the Solvent on the Kinetics of S N Ar Reactions in Ionic Liquids

Chemistry : a European journal, 2016-09, Vol.22 (37), p.13347-13351

2016

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Gutmann's Donor Numbers Correctly Assess the Effect of the Solvent on the Kinetics of S sub(N)Ar Reactions in Ionic Liquids

Chemistry : a European journal, 2016-09, Vol.22 (37), p.13347-13351

2016

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Mechanistic pathways of aromatic nucleophilic substitution in conventional solvents and ionic liquidsElectronic supplementary information (ESI) available: Copies of 1H NMR spectra, rate constant values and experimental conditions. See DOI: 10.1039/c4nj00130c

2014-05

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Changes in the S N Ar reaction mechanism brought about by preferential solvation

RSC advances, 2015, Vol.5 (120), p.99322-99328

2015

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Theoretical study on the molecular mechanism of the [5 + 2] vs. [4 + 2] cyclization mediated by Lewis acid in the quinone systemElectronic supplementary information (ESI) available: Total energies, E, enthalpies, H, entropies, S, and free energies, G, associated with the cyclization processes, Fig. S1 and S2 for attractor positions and atoms numbering of some selected points of the IRCs and Cartesian coordinates and total energies for the ground state molecules and transition states. See DOI: 10

2013-11

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Activation of Electrophile/Nucleophile Pair by a Nucleophilic and Electrophilic Solvation in a S N Ar Reaction

Frontiers in chemistry, 2018, Vol.6, p.509

2018

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Specific nucleophile-electrophile interactions in nucleophilic aromatic substitutionsElectronic supplementary information (ESI) available: Kinetics results of the reaction of FDNB towards primary amines and quinuclidine. Brønsted-type plots for the different aminolysis. Transition state structure for the reaction of piperidine towards FDNB with a water molecule and its reactivity profiles. Cartesian coordinates, energy and number of imaginary frequencies. See DOI: 10.1039/c3ob27450k

2013-03

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Natural and synthetic naphthoquinones active against Trypanosoma cruzi: an initial step towards new drugs for Chagas disease

Mode of action of p-quinone derivatives with trypanocidal activity studied by experimental and in silico models

Combined CoMFA and CoMSIA 3D-QSAR study of benzimidazole and benzothiophene derivatives with selective affinity for the CB2 cannabinoid receptor

New aryloxy-quinone derivatives as potential anti-Chagasic agents: synthesis, trypanosomicidal activity, electrochemical properties, pharmacophore elucidation and 3D-QSAR analysis

Structural analysis and molecular docking of trypanocidal aryloxy-quinones in trypanothione and glutathione reductases: a comparison with biochemical data

7-(tert-Butyl-diphenyl-sil-yloxy)-2,2-dimethyl-1-benzofuran-3(2H)-one

Combined molecular modelling and 3D‐QSAR study for understanding the inhibition of NQO1 by heterocyclic quinone derivatives

NL MIND-BEST: A web server for ligands and proteins discovery—Theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum

Cellular and molecular mechanisms of motor neuron death in amyotrophic lateral sclerosis

Novel 1-(1-benzyl-1H-indol-3-yl)- N,N,N-trimethylmethanaminium iodides are competitive antagonists for the human alpha 4 beta 2 and alpha 7 nicotinic acetylcholine receptors

6,9-Dimethoxy-3,4-dihydro-1H-1,4-oxazino[4,3-a]indol-1-one

Recycled ionic liquid vs. deep eutectic solvent in cellulose nanocrystals production: Characterization, techno-economic analysis, and life cycle assessment

13C NMR studies of heterocyclic naphtho- and anthraquinones. Deshielding effect on the carbonyl carbon with methyl substitution

Protic ionic liquids based on anionic clusters ([Hmim][(HSO4)(H2SO4]x) with (x = 0, 1, and 2), to produce nanocellulose (CNC)

Effect of the nature of the nucleophile and solvent on an S N Ar reaction

Effect of the nature of the nucleophile and solvent on an SNAr reactionElectronic supplementary information (ESI) available: Copies of 1H and 13C spectra, rate constant values and experimental conditions. See DOI: 10.1039/c7nj03212a

Dual function of amino acid ionic liquids (Bmim[AA]) on the degradation of the organophosphorus pesticide, Paraoxon®Electronic supplementary information (ESI) available. See DOI: 10.1039/c8ob01928b

Experimental Analyses Emphasize the Stability of the Meisenheimer Complex in a S N Ar Reaction Toward Trends in Reaction Pathways

Gutmann's Donor Numbers Correctly Assess the Effect of the Solvent on the Kinetics of S N Ar Reactions in Ionic Liquids

Gutmann's Donor Numbers Correctly Assess the Effect of the Solvent on the Kinetics of S sub(N)Ar Reactions in Ionic Liquids

Mechanistic pathways of aromatic nucleophilic substitution in conventional solvents and ionic liquidsElectronic supplementary information (ESI) available: Copies of 1H NMR spectra, rate constant values and experimental conditions. See DOI: 10.1039/c4nj00130c

Changes in the S N Ar reaction mechanism brought about by preferential solvation

Activation of Electrophile/Nucleophile Pair by a Nucleophilic and Electrophilic Solvation in a S N Ar Reaction

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