List of works - Vicente J. Arán

3,5-Diamino-1,2,6-thiadiazine 1,1-dioxide derivatives: synthesis and antiparasitic activity.

scientific article published on November 1986

A Computer-Based Approach to the Rational Discovery of New Trichomonacidal Drugs by Atom-Type Linear Indices

article

A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: Outcomes of in silico studies supported by experimental results

article

A new type of quinoxalinone derivatives affects viability, invasion, and intracellular growth of Toxoplasma gondii tachyzoites in vitro

scientific article published on 18 February 2016

A novel non-stochastic quadratic fingerprints-based approach for the ‘in silico’ discovery of new antitrypanosomal compounds

scientific article published on 01 November 2005

A sequential procedure for rapid and accurate identification of putative trichomonacidal agents.

scientific article

Anti-Inflammatory Activity and Cheminformatics Analysis of New Poten t 2-Substituted 1-Methyl-5-Nitroindazolinones

scientific article published on 19 January 2018

Antichagasic and trichomonacidal activity of 1-substituted 2-benzyl-5-nitroindazolin-3-ones and 3-alkoxy-2-benzyl-5-nitro-2H-indazoles.

scientific article

Antichagasic, Leishmanicidal and Trichomonacidal Activity of 2-Benzyl-5-nitroindazole-Derived Amines.

scientific article published on 6 April 2018

Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.

scientific article

Binding of 125I-labeled beta-lactam antibiotics to the penicillin binding proteins of Escherichia coli

scientific article published on 01 April 1984

Biological and chemical study of fused tri- and tetracyclic indazoles and analogues with important antiparasitic activity.

scientific article published on 25 April 2012

Biological approaches to characterize the mode of action of two 5-nitroindazolinone prototypes on Trypanosoma cruzi bloodstream trypomastigotes

scientific article published on 17 June 2016

Biological assay of a novel quinoxalinone with antimalarial efficacy on Plasmodium yoelii yoelii

scientific article published on 22 January 2013

Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds.

scientific article

Cannabinoid agonists showing BuChE inhibition as potential therapeutic agents for Alzheimer's disease

scientific article published on 7 December 2013

Comparative aromatic hydroxylation and N-demethylation of MPTP neurotoxin and its analogs, N-methylated beta-carboline and isoquinoline alkaloids, by human cytochrome P450 2D6

scientific article published on 15 June 2006

Derivatives of 3-sec-butyl-1-oxo-2,3-dihydroisoquinoline as inhibitors of mu-calpain

scientific article published on 01 July 2006

Determination of internal transcribed spacer regions (ITS) in Trichomonas vaginalis isolates and differentiation among Trichomonas species

scientific article published on 9 January 2014

Discovery of nitroheterocycles active against African trypanosomes. In vitro screening and preliminary SAR studies

scientific article

Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype

scientific article

Dopamine interaction in the absence and in the presence of Cu2+ ions with macrocyclic and macrobicyclic polyamines containing pyrazole units. Crystal structures of [Cu2(L1)(H2O)2](ClO4)4 and [Cu2(H-1L3)](ClO4)3*2H2O.

scientific article published in October 2001

Dry selection and wet evaluation for the rational discovery of new anthelmintics

ESR, electrochemical, molecular modeling and biological evaluation of 4-substituted and 1,4-disubstituted 7-nitroquinoxalin-2-ones as potential anti-Trypanosoma cruzi agents.

scientific article published on 16 December 2010

Fishing Anti-Inflammatories from Known Drugs: In Silico Repurposing, Design, Synthesis and Biological Evaluation of Bisacodyl Analogues

scientific article published on 17 August 2017

Further insights into biological evaluation of new anti-Trypanosoma cruzi 5-nitroindazoles

scientific article published on 17 January 2014

Hydrogen-bond-mediated self-assembly of 26-membered diaza tetraester crowns of 3,5-disubstituted 1H-pyrazole. Dimerization study in the solid state and in CDCl3 solution

scientific article

Identification, occurrence and activity of quinazoline alkaloids in Peganum harmala

scientific article published on 6 March 2017

In silicoAntibacterial Activity Modeling Based on the TOMOCOMD-CARDD Approach

article

In vitro and in vivo antitrypanosomatid activity of 5-nitroindazoles

scientific article published on 28 June 2008

In vitro leishmanicidal activity of 1,3-disubstituted 5-nitroindazoles

scientific article

In vitro trichomonacidal activity and preliminary in silico chemometric studies of 5-nitroindazolin-3-one and 3-alkoxy-5-nitroindazole derivatives

scientific article published on 3 November 2015

In vivo genotoxicity and cytotoxicity assessment of a novel quinoxalinone with trichomonacide activity.

scientific article published on 10 October 2012

Incorporation of S-[3H]methyl-D-cysteine into the peptidoglycan of ether-treated cells of Escherichia coli

scientific article published on June 1, 1992

Indazole N-oxide derivatives as antiprotozoal agents: synthesis, biological evaluation and mechanism of action studies

scientific article published on 17 February 2006

Indazoles: a new top seed structure in the search of efficient drugs against Trypanosoma cruzi.

scientific article published on October 2013

Juncus fernandez-carvajaliaesp. nov. (Juncaceae) from Castilla-La Mancha, central Spain

scientific article

Labelling and cross-linking of Escherichia coli penicillin-binding proteins with bis-beta-lactam antibiotics

scientific article published on 01 March 1984

Labelling of penicillin-binding proteins from Escherichia coli with photoreactive derivatives of beta-lactam antibiotics

scientific article published on 01 March 1983

Ligand-based discovery of novel trypanosomicidal drug-like compounds: in silico identification and experimental support

scientific article published on 5 May 2011

Molecular encapsulation of 5-nitroindazole derivatives in 2,6-dimethyl-beta-cyclodextrin: electrochemical and spectroscopic studies.

scientific article published on 5 May 2009

New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors

scientific article published on 27 August 2008

New ligand-based approach for the discovery of antitrypanosomal compounds

article

New perspectives on the synthesis and antichagasic activity of 3-alkoxy-1-alkyl-5-nitroindazoles

scientific article published on 03 January 2014

New potent 5-nitroindazole derivatives as inhibitors of Trypanosoma cruzi growth: synthesis, biological evaluation, and mechanism of action studies

scientific article published on 20 October 2009

Nitroindazole compounds inhibit the oxidative activation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) neurotoxin to neurotoxic pyridinium cations by human monoamine oxidase (MAO).

scientific article published on 7 August 2009

Non-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental assessment of a promising method for the discovery of new antimalarial compounds.

scientific article

Potential histamine H2-receptor antagonists. Synthesis, conformational studies and activity of novel 3-oxo-1,2,5-thiadiazole 1,1-dioxide derivatives

scientific article published on 01 September 1990

Predicting antitrichomonal activity: a computational screening using atom-based bilinear indices and experimental proofs

scientific article published on 27 July 2006

Quantitative structure-antifungal activity relationships of some benzohydrazides against Botrytis cinerea

scientific article published on 02 June 2007

Simple dialkyl pyrazole-3,5-dicarboxylates show in vitro and in vivo activity against disease-causing trypanosomatids

scientific article published on 3 April 2017

Structure of peptidoglycan from Thermus thermophilus HB8 ⬇️

scientific article published on September 1, 1995

Study of 5-nitroindazoles' anti-Trypanosoma cruzi mode of action: electrochemical behaviour and ESR spectroscopic studies.

scientific article published on 23 July 2008

Synthesis and Evaluation of 1,1′-Hydrocarbylenebis(indazol-3-ols) as Potential Antimalarial Drugs

scientific article published on 01 January 2009

Synthesis and Potential Muscarinic Receptor Binding and Antioxidant Properties of 3-(Thiadiazolyl)pyridine 1-Oxide Compounds

scientific article published on 01 June 1999

Synthesis and Protonation Behavior of 26-Membered Oxaaza and Polyaza Macrocycles Containing Two Heteroaromatic Units of 3,5-Disubstituted Pyrazole or 1-Benzylpyrazole. A Potentiometric and1H and13C NMR Study

article

Synthesis and antichagasic properties of new 1,2,6-thiadiazin-3,5-dione 1,1-dioxides and related compounds

scientific article published on 01 September 1999

Synthesis and biological properties of new 5-nitroindazole derivatives

scientific article

Synthesis and in vitro and in vivo biological evaluation of substituted nitroquinoxalin-2-ones and 2,3-diones as novel trichomonacidal agents.

scientific article published on 3 March 2015

Synthesis of quinoxaline derivatives from substituted acetanilides through intramolecular quaternization reactions

Synthesis, biological evaluation and chemometric analysis of indazole derivatives. 1,2-Disubstituted 5-nitroindazolinones, new prototypes of antichagasic drug

article

Ultrastructural alterations induced by nifurtimox and another nitro derivative on epimastigotes of Trypanosoma cruzi.

scientific article

X-ray diffraction, solution structure, and computational studies on derivatives of (3-sec-butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic acid: compounds with activity as calpain inhibitors.

scientific article published in January 2010

List of works by Vicente J. Arán

3,5-Diamino-1,2,6-thiadiazine 1,1-dioxide derivatives: synthesis and antiparasitic activity.

A Computer-Based Approach to the Rational Discovery of New Trichomonacidal Drugs by Atom-Type Linear Indices

A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: Outcomes of in silico studies supported by experimental results

A new type of quinoxalinone derivatives affects viability, invasion, and intracellular growth of Toxoplasma gondii tachyzoites in vitro

A novel non-stochastic quadratic fingerprints-based approach for the ‘in silico’ discovery of new antitrypanosomal compounds

A sequential procedure for rapid and accurate identification of putative trichomonacidal agents.

Anti-Inflammatory Activity and Cheminformatics Analysis of New Poten t 2-Substituted 1-Methyl-5-Nitroindazolinones

Antichagasic and trichomonacidal activity of 1-substituted 2-benzyl-5-nitroindazolin-3-ones and 3-alkoxy-2-benzyl-5-nitro-2H-indazoles.

Antichagasic, Leishmanicidal and Trichomonacidal Activity of 2-Benzyl-5-nitroindazole-Derived Amines.

Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.

Binding of 125I-labeled beta-lactam antibiotics to the penicillin binding proteins of Escherichia coli

Biological and chemical study of fused tri- and tetracyclic indazoles and analogues with important antiparasitic activity.

Biological approaches to characterize the mode of action of two 5-nitroindazolinone prototypes on Trypanosoma cruzi bloodstream trypomastigotes

Biological assay of a novel quinoxalinone with antimalarial efficacy on Plasmodium yoelii yoelii

Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds.

Cannabinoid agonists showing BuChE inhibition as potential therapeutic agents for Alzheimer's disease

Comparative aromatic hydroxylation and N-demethylation of MPTP neurotoxin and its analogs, N-methylated beta-carboline and isoquinoline alkaloids, by human cytochrome P450 2D6

Derivatives of 3-sec-butyl-1-oxo-2,3-dihydroisoquinoline as inhibitors of mu-calpain

Determination of internal transcribed spacer regions (ITS) in Trichomonas vaginalis isolates and differentiation among Trichomonas species

Discovery of nitroheterocycles active against African trypanosomes. In vitro screening and preliminary SAR studies

Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype

Dopamine interaction in the absence and in the presence of Cu2+ ions with macrocyclic and macrobicyclic polyamines containing pyrazole units. Crystal structures of [Cu2(L1)(H2O)2](ClO4)4 and [Cu2(H-1L3)](ClO4)3*2H2O.

Dry selection and wet evaluation for the rational discovery of new anthelmintics

ESR, electrochemical, molecular modeling and biological evaluation of 4-substituted and 1,4-disubstituted 7-nitroquinoxalin-2-ones as potential anti-Trypanosoma cruzi agents.

Fishing Anti-Inflammatories from Known Drugs: In Silico Repurposing, Design, Synthesis and Biological Evaluation of Bisacodyl Analogues

Further insights into biological evaluation of new anti-Trypanosoma cruzi 5-nitroindazoles

Hydrogen-bond-mediated self-assembly of 26-membered diaza tetraester crowns of 3,5-disubstituted 1H-pyrazole. Dimerization study in the solid state and in CDCl3 solution

Identification, occurrence and activity of quinazoline alkaloids in Peganum harmala

In silicoAntibacterial Activity Modeling Based on the TOMOCOMD-CARDD Approach

In vitro and in vivo antitrypanosomatid activity of 5-nitroindazoles

In vitro leishmanicidal activity of 1,3-disubstituted 5-nitroindazoles

In vitro trichomonacidal activity and preliminary in silico chemometric studies of 5-nitroindazolin-3-one and 3-alkoxy-5-nitroindazole derivatives

In vivo genotoxicity and cytotoxicity assessment of a novel quinoxalinone with trichomonacide activity.

Incorporation of S-[3H]methyl-D-cysteine into the peptidoglycan of ether-treated cells of Escherichia coli

Indazole N-oxide derivatives as antiprotozoal agents: synthesis, biological evaluation and mechanism of action studies

Indazoles: a new top seed structure in the search of efficient drugs against Trypanosoma cruzi.

Juncus fernandez-carvajaliaesp. nov. (Juncaceae) from Castilla-La Mancha, central Spain

Labelling and cross-linking of Escherichia coli penicillin-binding proteins with bis-beta-lactam antibiotics

Labelling of penicillin-binding proteins from Escherichia coli with photoreactive derivatives of beta-lactam antibiotics

Ligand-based discovery of novel trypanosomicidal drug-like compounds: in silico identification and experimental support

Molecular encapsulation of 5-nitroindazole derivatives in 2,6-dimethyl-beta-cyclodextrin: electrochemical and spectroscopic studies.

New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors

New ligand-based approach for the discovery of antitrypanosomal compounds

New perspectives on the synthesis and antichagasic activity of 3-alkoxy-1-alkyl-5-nitroindazoles

New potent 5-nitroindazole derivatives as inhibitors of Trypanosoma cruzi growth: synthesis, biological evaluation, and mechanism of action studies

Nitroindazole compounds inhibit the oxidative activation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) neurotoxin to neurotoxic pyridinium cations by human monoamine oxidase (MAO).

Non-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental assessment of a promising method for the discovery of new antimalarial compounds.

Potential histamine H2-receptor antagonists. Synthesis, conformational studies and activity of novel 3-oxo-1,2,5-thiadiazole 1,1-dioxide derivatives

Predicting antitrichomonal activity: a computational screening using atom-based bilinear indices and experimental proofs

Quantitative structure-antifungal activity relationships of some benzohydrazides against Botrytis cinerea

Simple dialkyl pyrazole-3,5-dicarboxylates show in vitro and in vivo activity against disease-causing trypanosomatids

Structure of peptidoglycan from Thermus thermophilus HB8 ⬇️

Study of 5-nitroindazoles' anti-Trypanosoma cruzi mode of action: electrochemical behaviour and ESR spectroscopic studies.

Synthesis and Evaluation of 1,1′-Hydrocarbylenebis(indazol-3-ols) as Potential Antimalarial Drugs

Synthesis and Potential Muscarinic Receptor Binding and Antioxidant Properties of 3-(Thiadiazolyl)pyridine 1-Oxide Compounds

Synthesis and Protonation Behavior of 26-Membered Oxaaza and Polyaza Macrocycles Containing Two Heteroaromatic Units of 3,5-Disubstituted Pyrazole or 1-Benzylpyrazole. A Potentiometric and1H and13C NMR Study

Synthesis and antichagasic properties of new 1,2,6-thiadiazin-3,5-dione 1,1-dioxides and related compounds

Synthesis and biological properties of new 5-nitroindazole derivatives

Synthesis and in vitro and in vivo biological evaluation of substituted nitroquinoxalin-2-ones and 2,3-diones as novel trichomonacidal agents.

Synthesis of quinoxaline derivatives from substituted acetanilides through intramolecular quaternization reactions

Synthesis, biological evaluation and chemometric analysis of indazole derivatives. 1,2-Disubstituted 5-nitroindazolinones, new prototypes of antichagasic drug

Ultrastructural alterations induced by nifurtimox and another nitro derivative on epimastigotes of Trypanosoma cruzi.

X-ray diffraction, solution structure, and computational studies on derivatives of (3-sec-butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic acid: compounds with activity as calpain inhibitors.